# generated using pymatgen
data_ThFe5P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72633800
_cell_length_b   10.41676800
_cell_length_c   11.91026300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThFe5P3
_chemical_formula_sum   'Th4 Fe20 P12'
_cell_volume   462.31351408
_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
  Th  Th0  1  0.75000000  0.41919800  0.29671800  1.0
  Th  Th1  1  0.25000000  0.58080200  0.70328200  1.0
  Th  Th2  1  0.25000000  0.91919800  0.20328200  1.0
  Th  Th3  1  0.75000000  0.08080200  0.79671800  1.0
  Fe  Fe4  1  0.75000000  0.37918200  0.80046800  1.0
  Fe  Fe5  1  0.75000000  0.29428900  0.01144700  1.0
  Fe  Fe6  1  0.75000000  0.59651500  0.51078900  1.0
  Fe  Fe7  1  0.25000000  0.70571100  0.98855300  1.0
  Fe  Fe8  1  0.25000000  0.22203700  0.17406400  1.0
  Fe  Fe9  1  0.25000000  0.62081800  0.19953200  1.0
  Fe  Fe10  1  0.25000000  0.09651500  0.98921100  1.0
  Fe  Fe11  1  0.25000000  0.27796300  0.67406400  1.0
  Fe  Fe12  1  0.25000000  0.87918200  0.69953200  1.0
  Fe  Fe13  1  0.75000000  0.90348500  0.01078900  1.0
  Fe  Fe14  1  0.25000000  0.40348500  0.48921100  1.0
  Fe  Fe15  1  0.75000000  0.96579000  0.56670000  1.0
  Fe  Fe16  1  0.75000000  0.53421000  0.06670000  1.0
  Fe  Fe17  1  0.25000000  0.79428900  0.48855300  1.0
  Fe  Fe18  1  0.75000000  0.77796300  0.82593600  1.0
  Fe  Fe19  1  0.75000000  0.12081800  0.30046800  1.0
  Fe  Fe20  1  0.25000000  0.46579000  0.93330000  1.0
  Fe  Fe21  1  0.75000000  0.72203700  0.32593600  1.0
  Fe  Fe22  1  0.75000000  0.20571100  0.51144700  1.0
  Fe  Fe23  1  0.25000000  0.03421000  0.43330000  1.0
  P  P24  1  0.25000000  0.07742700  0.60948800  1.0
  P  P25  1  0.75000000  0.72562000  0.13103300  1.0
  P  P26  1  0.75000000  0.92257300  0.39051200  1.0
  P  P27  1  0.25000000  0.42257300  0.10948800  1.0
  P  P28  1  0.75000000  0.57742700  0.89051200  1.0
  P  P29  1  0.25000000  0.22562000  0.36896700  1.0
  P  P30  1  0.25000000  0.89248900  0.89637000  1.0
  P  P31  1  0.25000000  0.60751100  0.39637000  1.0
  P  P32  1  0.25000000  0.27438000  0.86896700  1.0
  P  P33  1  0.75000000  0.39248900  0.60363000  1.0
  P  P34  1  0.75000000  0.10751100  0.10363000  1.0
  P  P35  1  0.75000000  0.77438000  0.63103300  1.0