# generated using pymatgen
data_Th5Sn3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.75153959
_cell_length_b   9.73791670
_cell_length_c   6.61413589
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.04627758
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th5Sn3Bi
_chemical_formula_sum   'Th10 Sn6 Bi2'
_cell_volume   543.67614533
_cell_formula_units_Z   2
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  0.00350443  0.72615343  0.75000000  1.0
  Th  Th1  1  0.27735000  0.27384657  0.75000000  1.0
  Th  Th2  1  0.33392284  0.66987326  0.49786493  1.0
  Th  Th3  1  0.66405058  0.33012674  0.49786493  1.0
  Th  Th4  1  0.72351062  0.72328725  0.25000000  1.0
  Th  Th5  1  0.72171134  0.00000000  0.75000000  1.0
  Th  Th6  1  0.00022337  0.27671275  0.25000000  1.0
  Th  Th7  1  0.27726679  1.00000000  0.25000000  1.0
  Th  Th8  1  0.33392284  0.66987326  0.00213507  1.0
  Th  Th9  1  0.66405058  0.33012674  0.00213507  1.0
  Sn  Sn10  1  0.38340701  1.00000000  0.75000000  1.0
  Sn  Sn11  1  0.61757151  0.00000000  0.25000000  1.0
  Sn  Sn12  1  0.38251445  0.38278884  0.25000000  1.0
  Sn  Sn13  1  0.99946906  0.00000000  0.00038469  1.0
  Sn  Sn14  1  0.99972561  0.61721116  0.25000000  1.0
  Sn  Sn15  1  0.99946906  0.00000000  0.49961531  1.0
  Bi  Bi16  1  0.61765408  0.61697727  0.75000000  1.0
  Bi  Bi17  1  0.00067681  0.38302273  0.75000000  1.0