# generated using pymatgen
data_Th5Bi2PbS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.56935368
_cell_length_b   9.56935381
_cell_length_c   6.63159161
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.08699274
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th5Bi2PbS
_chemical_formula_sum   'Th10 Bi4 Pb2 S2'
_cell_volume   525.45103819
_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  0.74888266  0.74888266  0.75000000  1.0
  Th  Th1  1  0.25200234  0.99996026  0.75000000  1.0
  Th  Th2  1  0.99996026  0.25200234  0.75000000  1.0
  Th  Th3  1  0.25029186  0.25029186  0.25000000  1.0
  Th  Th4  1  0.74927225  0.00173437  0.25000000  1.0
  Th  Th5  1  0.00173437  0.74927225  0.25000000  1.0
  Th  Th6  1  0.66669757  0.33288593  0.00130700  1.0
  Th  Th7  1  0.33288593  0.66669757  0.00130700  1.0
  Th  Th8  1  0.33288593  0.66669757  0.49869300  1.0
  Th  Th9  1  0.66669757  0.33288593  0.49869300  1.0
  Bi  Bi10  1  0.39159923  0.39159923  0.75000000  1.0
  Bi  Bi11  1  0.60791273  0.00047103  0.75000000  1.0
  Bi  Bi12  1  0.00047103  0.60791273  0.75000000  1.0
  Bi  Bi13  1  0.60855771  0.60855771  0.25000000  1.0
  Pb  Pb14  1  0.39169301  0.00020365  0.25000000  1.0
  Pb  Pb15  1  0.00020365  0.39169301  0.25000000  1.0
  S  S16  1  0.99912696  0.99912696  0.99958632  1.0
  S  S17  1  0.99912696  0.99912696  0.50041368  1.0