# generated using pymatgen
data_Nb3(Fe10B3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.72023993
_cell_length_b   10.72023993
_cell_length_c   10.72023993
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3(Fe10B3)2
_chemical_formula_sum   'Nb12 Fe80 B24'
_cell_volume   1232.00796697
_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
  Nb  Nb0  1  0.25000000  0.25000000  0.25000000  1
  Nb  Nb1  1  0.75000000  0.75000000  0.75000000  1
  Nb  Nb2  1  0.75000000  0.25000000  0.25000000  1
  Nb  Nb3  1  0.25000000  0.75000000  0.75000000  1
  Nb  Nb4  1  0.75000000  0.25000000  0.75000000  1
  Nb  Nb5  1  0.25000000  0.75000000  0.25000000  1
  Nb  Nb6  1  0.25000000  0.25000000  0.75000000  1
  Nb  Nb7  1  0.75000000  0.75000000  0.25000000  1
  Nb  Nb8  1  0.00000000  0.00000000  0.00000000  1
  Nb  Nb9  1  0.50000000  0.50000000  0.00000000  1
  Nb  Nb10  1  0.50000000  0.00000000  0.50000000  1
  Nb  Nb11  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe12  1  0.00000000  0.17328900  0.17328900  1
  Fe  Fe13  1  0.00000000  0.82671100  0.82671100  1
  Fe  Fe14  1  0.82671100  0.17328900  0.00000000  1
  Fe  Fe15  1  0.17328900  0.82671100  0.00000000  1
  Fe  Fe16  1  0.00000000  0.17328900  0.82671100  1
  Fe  Fe17  1  0.00000000  0.82671100  0.17328900  1
  Fe  Fe18  1  0.17328900  0.17328900  0.00000000  1
  Fe  Fe19  1  0.82671100  0.82671100  0.00000000  1
  Fe  Fe20  1  0.17328900  0.00000000  0.82671100  1
  Fe  Fe21  1  0.82671100  0.00000000  0.17328900  1
  Fe  Fe22  1  0.17328900  0.00000000  0.17328900  1
  Fe  Fe23  1  0.82671100  0.00000000  0.82671100  1
  Fe  Fe24  1  0.50000000  0.67328900  0.17328900  1
  Fe  Fe25  1  0.50000000  0.32671100  0.82671100  1
  Fe  Fe26  1  0.32671100  0.67328900  0.00000000  1
  Fe  Fe27  1  0.67328900  0.32671100  0.00000000  1
  Fe  Fe28  1  0.50000000  0.67328900  0.82671100  1
  Fe  Fe29  1  0.50000000  0.32671100  0.17328900  1
  Fe  Fe30  1  0.67328900  0.67328900  0.00000000  1
  Fe  Fe31  1  0.32671100  0.32671100  0.00000000  1
  Fe  Fe32  1  0.67328900  0.50000000  0.82671100  1
  Fe  Fe33  1  0.32671100  0.50000000  0.17328900  1
  Fe  Fe34  1  0.67328900  0.50000000  0.17328900  1
  Fe  Fe35  1  0.32671100  0.50000000  0.82671100  1
  Fe  Fe36  1  0.50000000  0.17328900  0.67328900  1
  Fe  Fe37  1  0.50000000  0.82671100  0.32671100  1
  Fe  Fe38  1  0.32671100  0.17328900  0.50000000  1
  Fe  Fe39  1  0.67328900  0.82671100  0.50000000  1
  Fe  Fe40  1  0.50000000  0.17328900  0.32671100  1
  Fe  Fe41  1  0.50000000  0.82671100  0.67328900  1
  Fe  Fe42  1  0.67328900  0.17328900  0.50000000  1
  Fe  Fe43  1  0.32671100  0.82671100  0.50000000  1
  Fe  Fe44  1  0.67328900  0.00000000  0.32671100  1
  Fe  Fe45  1  0.32671100  0.00000000  0.67328900  1
  Fe  Fe46  1  0.67328900  0.00000000  0.67328900  1
  Fe  Fe47  1  0.32671100  0.00000000  0.32671100  1
  Fe  Fe48  1  0.00000000  0.67328900  0.67328900  1
  Fe  Fe49  1  0.00000000  0.32671100  0.32671100  1
  Fe  Fe50  1  0.82671100  0.67328900  0.50000000  1
  Fe  Fe51  1  0.17328900  0.32671100  0.50000000  1
  Fe  Fe52  1  0.00000000  0.67328900  0.32671100  1
  Fe  Fe53  1  0.00000000  0.32671100  0.67328900  1
  Fe  Fe54  1  0.17328900  0.67328900  0.50000000  1
  Fe  Fe55  1  0.82671100  0.32671100  0.50000000  1
  Fe  Fe56  1  0.17328900  0.50000000  0.32671100  1
  Fe  Fe57  1  0.82671100  0.50000000  0.67328900  1
  Fe  Fe58  1  0.17328900  0.50000000  0.67328900  1
  Fe  Fe59  1  0.82671100  0.50000000  0.32671100  1
  Fe  Fe60  1  0.11546000  0.11546000  0.38454000  1
  Fe  Fe61  1  0.88454000  0.88454000  0.61546000  1
  Fe  Fe62  1  0.61546000  0.11546000  0.11546000  1
  Fe  Fe63  1  0.38454000  0.88454000  0.88454000  1
  Fe  Fe64  1  0.88454000  0.11546000  0.61546000  1
  Fe  Fe65  1  0.11546000  0.88454000  0.38454000  1
  Fe  Fe66  1  0.38454000  0.11546000  0.88454000  1
  Fe  Fe67  1  0.61546000  0.88454000  0.11546000  1
  Fe  Fe68  1  0.11546000  0.88454000  0.61546000  1
  Fe  Fe69  1  0.88454000  0.11546000  0.38454000  1
  Fe  Fe70  1  0.61546000  0.88454000  0.88454000  1
  Fe  Fe71  1  0.38454000  0.11546000  0.11546000  1
  Fe  Fe72  1  0.88454000  0.88454000  0.38454000  1
  Fe  Fe73  1  0.11546000  0.11546000  0.61546000  1
  Fe  Fe74  1  0.38454000  0.88454000  0.11546000  1
  Fe  Fe75  1  0.61546000  0.11546000  0.88454000  1
  Fe  Fe76  1  0.11546000  0.38454000  0.11546000  1
  Fe  Fe77  1  0.88454000  0.61546000  0.88454000  1
  Fe  Fe78  1  0.11546000  0.61546000  0.88454000  1
  Fe  Fe79  1  0.88454000  0.38454000  0.11546000  1
  Fe  Fe80  1  0.88454000  0.61546000  0.11546000  1
  Fe  Fe81  1  0.11546000  0.38454000  0.88454000  1
  Fe  Fe82  1  0.88454000  0.38454000  0.88454000  1
  Fe  Fe83  1  0.11546000  0.61546000  0.11546000  1
  Fe  Fe84  1  0.61546000  0.61546000  0.38454000  1
  Fe  Fe85  1  0.38454000  0.38454000  0.61546000  1
  Fe  Fe86  1  0.38454000  0.61546000  0.61546000  1
  Fe  Fe87  1  0.61546000  0.38454000  0.38454000  1
  Fe  Fe88  1  0.61546000  0.38454000  0.61546000  1
  Fe  Fe89  1  0.38454000  0.61546000  0.38454000  1
  Fe  Fe90  1  0.38454000  0.38454000  0.38454000  1
  Fe  Fe91  1  0.61546000  0.61546000  0.61546000  1
  B  B92  1  0.00000000  0.00000000  0.27086500  1
  B  B93  1  0.00000000  0.00000000  0.72913500  1
  B  B94  1  0.72913500  0.00000000  0.00000000  1
  B  B95  1  0.27086500  0.00000000  0.00000000  1
  B  B96  1  0.00000000  0.27086500  0.00000000  1
  B  B97  1  0.00000000  0.72913500  0.00000000  1
  B  B98  1  0.50000000  0.50000000  0.27086500  1
  B  B99  1  0.50000000  0.50000000  0.72913500  1
  B  B100  1  0.22913500  0.50000000  0.00000000  1
  B  B101  1  0.77086500  0.50000000  0.00000000  1
  B  B102  1  0.50000000  0.77086500  0.00000000  1
  B  B103  1  0.50000000  0.22913500  0.00000000  1
  B  B104  1  0.50000000  0.00000000  0.77086500  1
  B  B105  1  0.50000000  0.00000000  0.22913500  1
  B  B106  1  0.22913500  0.00000000  0.50000000  1
  B  B107  1  0.77086500  0.00000000  0.50000000  1
  B  B108  1  0.50000000  0.27086500  0.50000000  1
  B  B109  1  0.50000000  0.72913500  0.50000000  1
  B  B110  1  0.00000000  0.50000000  0.77086500  1
  B  B111  1  0.00000000  0.50000000  0.22913500  1
  B  B112  1  0.72913500  0.50000000  0.50000000  1
  B  B113  1  0.27086500  0.50000000  0.50000000  1
  B  B114  1  0.00000000  0.77086500  0.50000000  1
  B  B115  1  0.00000000  0.22913500  0.50000000  1
