# generated using pymatgen
data_Th5NiBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.63910050
_cell_length_b   9.63887270
_cell_length_c   6.53993101
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99889575
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th5NiBi3
_chemical_formula_sum   'Th10 Ni2 Bi6'
_cell_volume   526.22488719
_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  0.75661394  0.75658632  0.75000000  1.0
  Th  Th1  1  0.24339712  0.99999462  0.75000000  1.0
  Th  Th2  1  0.00000726  0.24338628  0.75000000  1.0
  Th  Th3  1  0.24338606  0.24341368  0.25000000  1.0
  Th  Th4  1  0.75660288  0.00000538  0.25000000  1.0
  Th  Th5  1  0.99999274  0.75661372  0.25000000  1.0
  Th  Th6  1  0.66666776  0.33333351  0.99998786  1.0
  Th  Th7  1  0.33333224  0.66666649  0.00001214  1.0
  Th  Th8  1  0.33333224  0.66666649  0.49998786  1.0
  Th  Th9  1  0.66666776  0.33333351  0.50001214  1.0
  Ni  Ni10  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni11  1  0.00000000  0.00000000  0.50000000  1.0
  Bi  Bi12  1  0.39065910  0.39066187  0.75000000  1.0
  Bi  Bi13  1  0.60934426  0.00000079  0.75000000  1.0
  Bi  Bi14  1  0.00000631  0.60934610  0.75000000  1.0
  Bi  Bi15  1  0.60934090  0.60933813  0.25000000  1.0
  Bi  Bi16  1  0.39065574  0.99999921  0.25000000  1.0
  Bi  Bi17  1  0.99999369  0.39065390  0.25000000  1.0