# generated using pymatgen
data_Sc6Ni16Ge7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.63086345
_cell_length_b   11.63086345
_cell_length_c   11.63086345
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6Ni16Ge7
_chemical_formula_sum   'Sc24 Ni64 Ge28'
_cell_volume   1573.38813572
_cell_formula_units_Z   4
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
  Sc  Sc0  1  0.29287100  0.00000000  0.50000000  1
  Sc  Sc1  1  0.00000000  0.70712900  0.50000000  1
  Sc  Sc2  1  0.70712900  0.00000000  0.50000000  1
  Sc  Sc3  1  0.50000000  0.79287100  0.50000000  1
  Sc  Sc4  1  0.00000000  0.00000000  0.79287100  1
  Sc  Sc5  1  0.00000000  0.00000000  0.20712900  1
  Sc  Sc6  1  0.29287100  0.50000000  0.00000000  1
  Sc  Sc7  1  0.00000000  0.20712900  0.00000000  1
  Sc  Sc8  1  0.70712900  0.50000000  0.00000000  1
  Sc  Sc9  1  0.50000000  0.29287100  0.00000000  1
  Sc  Sc10  1  0.00000000  0.50000000  0.29287100  1
  Sc  Sc11  1  0.00000000  0.50000000  0.70712900  1
  Sc  Sc12  1  0.79287100  0.00000000  0.00000000  1
  Sc  Sc13  1  0.50000000  0.70712900  0.00000000  1
  Sc  Sc14  1  0.20712900  0.00000000  0.00000000  1
  Sc  Sc15  1  0.00000000  0.79287100  0.00000000  1
  Sc  Sc16  1  0.50000000  0.00000000  0.29287100  1
  Sc  Sc17  1  0.50000000  0.00000000  0.70712900  1
  Sc  Sc18  1  0.79287100  0.50000000  0.50000000  1
  Sc  Sc19  1  0.50000000  0.20712900  0.50000000  1
  Sc  Sc20  1  0.20712900  0.50000000  0.50000000  1
  Sc  Sc21  1  0.00000000  0.29287100  0.50000000  1
  Sc  Sc22  1  0.50000000  0.50000000  0.79287100  1
  Sc  Sc23  1  0.50000000  0.50000000  0.20712900  1
  Ni  Ni24  1  0.88053300  0.88053300  0.38053300  1
  Ni  Ni25  1  0.33092900  0.66907100  0.16907100  1
  Ni  Ni26  1  0.88053300  0.88053300  0.61946700  1
  Ni  Ni27  1  0.33092900  0.83092900  0.66907100  1
  Ni  Ni28  1  0.16907100  0.66907100  0.33092900  1
  Ni  Ni29  1  0.16907100  0.66907100  0.66907100  1
  Ni  Ni30  1  0.33092900  0.83092900  0.33092900  1
  Ni  Ni31  1  0.61946700  0.61946700  0.38053300  1
  Ni  Ni32  1  0.16907100  0.83092900  0.16907100  1
  Ni  Ni33  1  0.61946700  0.61946700  0.61946700  1
  Ni  Ni34  1  0.11946700  0.88053300  0.61946700  1
  Ni  Ni35  1  0.11946700  0.88053300  0.38053300  1
  Ni  Ni36  1  0.38053300  0.61946700  0.38053300  1
  Ni  Ni37  1  0.33092900  0.66907100  0.83092900  1
  Ni  Ni38  1  0.38053300  0.61946700  0.61946700  1
  Ni  Ni39  1  0.16907100  0.83092900  0.83092900  1
  Ni  Ni40  1  0.88053300  0.38053300  0.88053300  1
  Ni  Ni41  1  0.33092900  0.16907100  0.66907100  1
  Ni  Ni42  1  0.88053300  0.38053300  0.11946700  1
  Ni  Ni43  1  0.33092900  0.33092900  0.16907100  1
  Ni  Ni44  1  0.16907100  0.16907100  0.83092900  1
  Ni  Ni45  1  0.16907100  0.16907100  0.16907100  1
  Ni  Ni46  1  0.33092900  0.33092900  0.83092900  1
  Ni  Ni47  1  0.61946700  0.11946700  0.88053300  1
  Ni  Ni48  1  0.16907100  0.33092900  0.66907100  1
  Ni  Ni49  1  0.61946700  0.11946700  0.11946700  1
  Ni  Ni50  1  0.11946700  0.38053300  0.11946700  1
  Ni  Ni51  1  0.11946700  0.38053300  0.88053300  1
  Ni  Ni52  1  0.38053300  0.11946700  0.88053300  1
  Ni  Ni53  1  0.33092900  0.16907100  0.33092900  1
  Ni  Ni54  1  0.38053300  0.11946700  0.11946700  1
  Ni  Ni55  1  0.16907100  0.33092900  0.33092900  1
  Ni  Ni56  1  0.38053300  0.88053300  0.88053300  1
  Ni  Ni57  1  0.83092900  0.66907100  0.66907100  1
  Ni  Ni58  1  0.38053300  0.88053300  0.11946700  1
  Ni  Ni59  1  0.83092900  0.83092900  0.16907100  1
  Ni  Ni60  1  0.66907100  0.66907100  0.83092900  1
  Ni  Ni61  1  0.66907100  0.66907100  0.16907100  1
  Ni  Ni62  1  0.83092900  0.83092900  0.83092900  1
  Ni  Ni63  1  0.11946700  0.61946700  0.88053300  1
  Ni  Ni64  1  0.66907100  0.83092900  0.66907100  1
  Ni  Ni65  1  0.11946700  0.61946700  0.11946700  1
  Ni  Ni66  1  0.61946700  0.88053300  0.11946700  1
  Ni  Ni67  1  0.61946700  0.88053300  0.88053300  1
  Ni  Ni68  1  0.88053300  0.61946700  0.88053300  1
  Ni  Ni69  1  0.83092900  0.66907100  0.33092900  1
  Ni  Ni70  1  0.88053300  0.61946700  0.11946700  1
  Ni  Ni71  1  0.66907100  0.83092900  0.33092900  1
  Ni  Ni72  1  0.38053300  0.38053300  0.38053300  1
  Ni  Ni73  1  0.83092900  0.16907100  0.16907100  1
  Ni  Ni74  1  0.38053300  0.38053300  0.61946700  1
  Ni  Ni75  1  0.83092900  0.33092900  0.66907100  1
  Ni  Ni76  1  0.66907100  0.16907100  0.33092900  1
  Ni  Ni77  1  0.66907100  0.16907100  0.66907100  1
  Ni  Ni78  1  0.83092900  0.33092900  0.33092900  1
  Ni  Ni79  1  0.11946700  0.11946700  0.38053300  1
  Ni  Ni80  1  0.66907100  0.33092900  0.16907100  1
  Ni  Ni81  1  0.11946700  0.11946700  0.61946700  1
  Ni  Ni82  1  0.61946700  0.38053300  0.61946700  1
  Ni  Ni83  1  0.61946700  0.38053300  0.38053300  1
  Ni  Ni84  1  0.88053300  0.11946700  0.38053300  1
  Ni  Ni85  1  0.83092900  0.16907100  0.83092900  1
  Ni  Ni86  1  0.88053300  0.11946700  0.61946700  1
  Ni  Ni87  1  0.66907100  0.33092900  0.83092900  1
  Ge  Ge88  1  0.25000000  0.75000000  0.50000000  1
  Ge  Ge89  1  0.75000000  0.00000000  0.25000000  1
  Ge  Ge90  1  0.00000000  0.00000000  0.50000000  1
  Ge  Ge91  1  0.25000000  0.00000000  0.25000000  1
  Ge  Ge92  1  0.25000000  0.75000000  0.00000000  1
  Ge  Ge93  1  0.50000000  0.75000000  0.25000000  1
  Ge  Ge94  1  0.00000000  0.75000000  0.25000000  1
  Ge  Ge95  1  0.25000000  0.25000000  0.00000000  1
  Ge  Ge96  1  0.75000000  0.50000000  0.75000000  1
  Ge  Ge97  1  0.00000000  0.50000000  0.00000000  1
  Ge  Ge98  1  0.25000000  0.50000000  0.75000000  1
  Ge  Ge99  1  0.25000000  0.25000000  0.50000000  1
  Ge  Ge100  1  0.50000000  0.25000000  0.75000000  1
  Ge  Ge101  1  0.00000000  0.25000000  0.75000000  1
  Ge  Ge102  1  0.75000000  0.75000000  0.00000000  1
  Ge  Ge103  1  0.25000000  0.00000000  0.75000000  1
  Ge  Ge104  1  0.50000000  0.00000000  0.00000000  1
  Ge  Ge105  1  0.75000000  0.00000000  0.75000000  1
  Ge  Ge106  1  0.75000000  0.75000000  0.50000000  1
  Ge  Ge107  1  0.00000000  0.75000000  0.75000000  1
  Ge  Ge108  1  0.50000000  0.75000000  0.75000000  1
  Ge  Ge109  1  0.75000000  0.25000000  0.50000000  1
  Ge  Ge110  1  0.25000000  0.50000000  0.25000000  1
  Ge  Ge111  1  0.50000000  0.50000000  0.50000000  1
  Ge  Ge112  1  0.75000000  0.50000000  0.25000000  1
  Ge  Ge113  1  0.75000000  0.25000000  0.00000000  1
  Ge  Ge114  1  0.00000000  0.25000000  0.25000000  1
  Ge  Ge115  1  0.50000000  0.25000000  0.25000000  1
