# generated using pymatgen
data_YFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.52295820
_cell_length_b   14.52295820
_cell_length_c   14.52295820
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2
_chemical_formula_sum   'Y64 Fe128'
_cell_volume   3063.12882468
_cell_formula_units_Z   64
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Y  Y0  1  0.00000000  0.00000000  0.00000000  1
  Y  Y1  1  0.00000000  0.00000000  0.50000000  1
  Y  Y2  1  0.00000000  0.50000000  0.00000000  1
  Y  Y3  1  0.50000000  0.00000000  0.00000000  1
  Y  Y4  1  0.37409300  0.37409300  0.62590700  1
  Y  Y5  1  0.37409300  0.62590700  0.37409300  1
  Y  Y6  1  0.62590700  0.37409300  0.37409300  1
  Y  Y7  1  0.12590700  0.12590700  0.12590700  1
  Y  Y8  1  0.49680100  0.24908500  0.75091500  1
  Y  Y9  1  0.24908500  0.24908500  0.50319900  1
  Y  Y10  1  0.24908500  0.49680100  0.75091500  1
  Y  Y11  1  0.49680100  0.75091500  0.24908500  1
  Y  Y12  1  0.24908500  0.75091500  0.49680100  1
  Y  Y13  1  0.24908500  0.50319900  0.24908500  1
  Y  Y14  1  0.50319900  0.24908500  0.24908500  1
  Y  Y15  1  0.75091500  0.24908500  0.49680100  1
  Y  Y16  1  0.75091500  0.49680100  0.24908500  1
  Y  Y17  1  0.00319900  0.25091500  0.25091500  1
  Y  Y18  1  0.25091500  0.25091500  0.00319900  1
  Y  Y19  1  0.25091500  0.00319900  0.25091500  1
  Y  Y20  1  0.12321500  0.12321500  0.62733400  1
  Y  Y21  1  0.12321500  0.37266600  0.87678500  1
  Y  Y22  1  0.37266600  0.12321500  0.87678500  1
  Y  Y23  1  0.12321500  0.87678500  0.37266600  1
  Y  Y24  1  0.12321500  0.62733400  0.12321500  1
  Y  Y25  1  0.37266600  0.87678500  0.12321500  1
  Y  Y26  1  0.87678500  0.12321500  0.37266600  1
  Y  Y27  1  0.87678500  0.37266600  0.12321500  1
  Y  Y28  1  0.62733400  0.12321500  0.12321500  1
  Y  Y29  1  0.37678500  0.37678500  0.12733400  1
  Y  Y30  1  0.37678500  0.12733400  0.37678500  1
  Y  Y31  1  0.12733400  0.37678500  0.37678500  1
  Y  Y32  1  0.50000000  0.50000000  0.50000000  1
  Y  Y33  1  0.50000000  0.50000000  0.00000000  1
  Y  Y34  1  0.50000000  0.00000000  0.50000000  1
  Y  Y35  1  0.00000000  0.50000000  0.50000000  1
  Y  Y36  1  0.87409300  0.87409300  0.12590700  1
  Y  Y37  1  0.87409300  0.12590700  0.87409300  1
  Y  Y38  1  0.12590700  0.87409300  0.87409300  1
  Y  Y39  1  0.62590700  0.62590700  0.62590700  1
  Y  Y40  1  0.99680100  0.74908500  0.25091500  1
  Y  Y41  1  0.74908500  0.74908500  0.00319900  1
  Y  Y42  1  0.74908500  0.99680100  0.25091500  1
  Y  Y43  1  0.99680100  0.25091500  0.74908500  1
  Y  Y44  1  0.74908500  0.25091500  0.99680100  1
  Y  Y45  1  0.74908500  0.00319900  0.74908500  1
  Y  Y46  1  0.00319900  0.74908500  0.74908500  1
  Y  Y47  1  0.25091500  0.74908500  0.99680100  1
  Y  Y48  1  0.25091500  0.99680100  0.74908500  1
  Y  Y49  1  0.50319900  0.75091500  0.75091500  1
  Y  Y50  1  0.75091500  0.75091500  0.50319900  1
  Y  Y51  1  0.75091500  0.50319900  0.75091500  1
  Y  Y52  1  0.62321500  0.62321500  0.12733400  1
  Y  Y53  1  0.62321500  0.87266600  0.37678500  1
  Y  Y54  1  0.87266600  0.62321500  0.37678500  1
  Y  Y55  1  0.62321500  0.37678500  0.87266600  1
  Y  Y56  1  0.62321500  0.12733400  0.62321500  1
  Y  Y57  1  0.87266600  0.37678500  0.62321500  1
  Y  Y58  1  0.37678500  0.62321500  0.87266600  1
  Y  Y59  1  0.37678500  0.87266600  0.62321500  1
  Y  Y60  1  0.12733400  0.62321500  0.62321500  1
  Y  Y61  1  0.87678500  0.87678500  0.62733400  1
  Y  Y62  1  0.87678500  0.62733400  0.87678500  1
  Y  Y63  1  0.62733400  0.87678500  0.87678500  1
  Fe  Fe64  1  0.18526300  0.18526300  0.81473700  1
  Fe  Fe65  1  0.18526300  0.81473700  0.18526300  1
  Fe  Fe66  1  0.81473700  0.18526300  0.18526300  1
  Fe  Fe67  1  0.31473700  0.31473700  0.31473700  1
  Fe  Fe68  1  0.68532400  0.18987200  0.81012800  1
  Fe  Fe69  1  0.18987200  0.18987200  0.31467600  1
  Fe  Fe70  1  0.18987200  0.68532400  0.81012800  1
  Fe  Fe71  1  0.68532400  0.81012800  0.18987200  1
  Fe  Fe72  1  0.18987200  0.81012800  0.68532400  1
  Fe  Fe73  1  0.18987200  0.31467600  0.18987200  1
  Fe  Fe74  1  0.31467600  0.18987200  0.18987200  1
  Fe  Fe75  1  0.81012800  0.18987200  0.68532400  1
  Fe  Fe76  1  0.81012800  0.68532400  0.18987200  1
  Fe  Fe77  1  0.81467600  0.31012800  0.31012800  1
  Fe  Fe78  1  0.31012800  0.31012800  0.81467600  1
  Fe  Fe79  1  0.31012800  0.81467600  0.31012800  1
  Fe  Fe80  1  0.18741000  0.93837900  0.06162100  1
  Fe  Fe81  1  0.43837900  0.43837900  0.31259000  1
  Fe  Fe82  1  0.93837900  0.18741000  0.06162100  1
  Fe  Fe83  1  0.18741000  0.06162100  0.93837900  1
  Fe  Fe84  1  0.93837900  0.06162100  0.18741000  1
  Fe  Fe85  1  0.43837900  0.31259000  0.43837900  1
  Fe  Fe86  1  0.31259000  0.43837900  0.43837900  1
  Fe  Fe87  1  0.06162100  0.93837900  0.18741000  1
  Fe  Fe88  1  0.06162100  0.18741000  0.93837900  1
  Fe  Fe89  1  0.81259000  0.06162100  0.06162100  1
  Fe  Fe90  1  0.06162100  0.06162100  0.81259000  1
  Fe  Fe91  1  0.06162100  0.81259000  0.06162100  1
  Fe  Fe92  1  0.68680700  0.93591600  0.06408400  1
  Fe  Fe93  1  0.43591600  0.43591600  0.81319300  1
  Fe  Fe94  1  0.93591600  0.68680700  0.06408400  1
  Fe  Fe95  1  0.68680700  0.06408400  0.93591600  1
  Fe  Fe96  1  0.93591600  0.06408400  0.68680700  1
  Fe  Fe97  1  0.43591600  0.81319300  0.43591600  1
  Fe  Fe98  1  0.81319300  0.43591600  0.43591600  1
  Fe  Fe99  1  0.06408400  0.93591600  0.68680700  1
  Fe  Fe100  1  0.06408400  0.68680700  0.93591600  1
  Fe  Fe101  1  0.31319300  0.06408400  0.06408400  1
  Fe  Fe102  1  0.06408400  0.06408400  0.31319300  1
  Fe  Fe103  1  0.06408400  0.31319300  0.06408400  1
  Fe  Fe104  1  0.93665000  0.18791800  0.56124300  1
  Fe  Fe105  1  0.18791800  0.43875700  0.06335000  1
  Fe  Fe106  1  0.93875700  0.43665000  0.31208200  1
  Fe  Fe107  1  0.43665000  0.93875700  0.31208200  1
  Fe  Fe108  1  0.18791800  0.93665000  0.56124300  1
  Fe  Fe109  1  0.43875700  0.18791800  0.06335000  1
  Fe  Fe110  1  0.43665000  0.31208200  0.93875700  1
  Fe  Fe111  1  0.18791800  0.56124300  0.93665000  1
  Fe  Fe112  1  0.43875700  0.06335000  0.18791800  1
  Fe  Fe113  1  0.93665000  0.56124300  0.18791800  1
  Fe  Fe114  1  0.18791800  0.06335000  0.43875700  1
  Fe  Fe115  1  0.93875700  0.31208200  0.43665000  1
  Fe  Fe116  1  0.06335000  0.18791800  0.43875700  1
  Fe  Fe117  1  0.31208200  0.93875700  0.43665000  1
  Fe  Fe118  1  0.56124300  0.93665000  0.18791800  1
  Fe  Fe119  1  0.06335000  0.43875700  0.18791800  1
  Fe  Fe120  1  0.31208200  0.43665000  0.93875700  1
  Fe  Fe121  1  0.56124300  0.18791800  0.93665000  1
  Fe  Fe122  1  0.56335000  0.31208200  0.06124300  1
  Fe  Fe123  1  0.31208200  0.06124300  0.56335000  1
  Fe  Fe124  1  0.06124300  0.56335000  0.31208200  1
  Fe  Fe125  1  0.56335000  0.06124300  0.31208200  1
  Fe  Fe126  1  0.31208200  0.56335000  0.06124300  1
  Fe  Fe127  1  0.06124300  0.31208200  0.56335000  1
  Fe  Fe128  1  0.68526300  0.68526300  0.31473700  1
  Fe  Fe129  1  0.68526300  0.31473700  0.68526300  1
  Fe  Fe130  1  0.31473700  0.68526300  0.68526300  1
  Fe  Fe131  1  0.81473700  0.81473700  0.81473700  1
  Fe  Fe132  1  0.18532400  0.68987200  0.31012800  1
  Fe  Fe133  1  0.68987200  0.68987200  0.81467600  1
  Fe  Fe134  1  0.68987200  0.18532400  0.31012800  1
  Fe  Fe135  1  0.18532400  0.31012800  0.68987200  1
  Fe  Fe136  1  0.68987200  0.31012800  0.18532400  1
  Fe  Fe137  1  0.68987200  0.81467600  0.68987200  1
  Fe  Fe138  1  0.81467600  0.68987200  0.68987200  1
  Fe  Fe139  1  0.31012800  0.68987200  0.18532400  1
  Fe  Fe140  1  0.31012800  0.18532400  0.68987200  1
  Fe  Fe141  1  0.31467600  0.81012800  0.81012800  1
  Fe  Fe142  1  0.81012800  0.81012800  0.31467600  1
  Fe  Fe143  1  0.81012800  0.31467600  0.81012800  1
  Fe  Fe144  1  0.68741000  0.43837900  0.56162100  1
  Fe  Fe145  1  0.93837900  0.93837900  0.81259000  1
  Fe  Fe146  1  0.43837900  0.68741000  0.56162100  1
  Fe  Fe147  1  0.68741000  0.56162100  0.43837900  1
  Fe  Fe148  1  0.43837900  0.56162100  0.68741000  1
  Fe  Fe149  1  0.93837900  0.81259000  0.93837900  1
  Fe  Fe150  1  0.81259000  0.93837900  0.93837900  1
  Fe  Fe151  1  0.56162100  0.43837900  0.68741000  1
  Fe  Fe152  1  0.56162100  0.68741000  0.43837900  1
  Fe  Fe153  1  0.31259000  0.56162100  0.56162100  1
  Fe  Fe154  1  0.56162100  0.56162100  0.31259000  1
  Fe  Fe155  1  0.56162100  0.31259000  0.56162100  1
  Fe  Fe156  1  0.18680700  0.43591600  0.56408400  1
  Fe  Fe157  1  0.93591600  0.93591600  0.31319300  1
  Fe  Fe158  1  0.43591600  0.18680700  0.56408400  1
  Fe  Fe159  1  0.18680700  0.56408400  0.43591600  1
  Fe  Fe160  1  0.43591600  0.56408400  0.18680700  1
  Fe  Fe161  1  0.93591600  0.31319300  0.93591600  1
  Fe  Fe162  1  0.31319300  0.93591600  0.93591600  1
  Fe  Fe163  1  0.56408400  0.43591600  0.18680700  1
  Fe  Fe164  1  0.56408400  0.18680700  0.43591600  1
  Fe  Fe165  1  0.81319300  0.56408400  0.56408400  1
  Fe  Fe166  1  0.56408400  0.56408400  0.81319300  1
  Fe  Fe167  1  0.56408400  0.81319300  0.56408400  1
  Fe  Fe168  1  0.43665000  0.68791800  0.06124300  1
  Fe  Fe169  1  0.68791800  0.93875700  0.56335000  1
  Fe  Fe170  1  0.43875700  0.93665000  0.81208200  1
  Fe  Fe171  1  0.93665000  0.43875700  0.81208200  1
  Fe  Fe172  1  0.68791800  0.43665000  0.06124300  1
  Fe  Fe173  1  0.93875700  0.68791800  0.56335000  1
  Fe  Fe174  1  0.93665000  0.81208200  0.43875700  1
  Fe  Fe175  1  0.68791800  0.06124300  0.43665000  1
  Fe  Fe176  1  0.93875700  0.56335000  0.68791800  1
  Fe  Fe177  1  0.43665000  0.06124300  0.68791800  1
  Fe  Fe178  1  0.68791800  0.56335000  0.93875700  1
  Fe  Fe179  1  0.43875700  0.81208200  0.93665000  1
  Fe  Fe180  1  0.56335000  0.68791800  0.93875700  1
  Fe  Fe181  1  0.81208200  0.43875700  0.93665000  1
  Fe  Fe182  1  0.06124300  0.43665000  0.68791800  1
  Fe  Fe183  1  0.56335000  0.93875700  0.68791800  1
  Fe  Fe184  1  0.81208200  0.93665000  0.43875700  1
  Fe  Fe185  1  0.06124300  0.68791800  0.43665000  1
  Fe  Fe186  1  0.06335000  0.81208200  0.56124300  1
  Fe  Fe187  1  0.81208200  0.56124300  0.06335000  1
  Fe  Fe188  1  0.56124300  0.06335000  0.81208200  1
  Fe  Fe189  1  0.06335000  0.56124300  0.81208200  1
  Fe  Fe190  1  0.81208200  0.06335000  0.56124300  1
  Fe  Fe191  1  0.56124300  0.81208200  0.06335000  1
