# generated using pymatgen
data_Th5BiPb2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.56118629
_cell_length_b   9.57880518
_cell_length_c   6.63241862
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.06069018
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th5BiPb2S
_chemical_formula_sum   'Th10 Bi2 Pb4 S2'
_cell_volume   525.72637102
_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  0.74754643  0.74601766  0.75000000  1.0
  Th  Th1  1  0.25239122  0.99835965  0.75000000  1.0
  Th  Th2  1  0.00005146  0.25534256  0.75000000  1.0
  Th  Th3  1  0.25336624  0.25320684  0.25000000  1.0
  Th  Th4  1  0.74657176  0.99973768  0.25000000  1.0
  Th  Th5  1  0.00004525  0.74568715  0.25000000  1.0
  Th  Th6  1  0.66704406  0.33363220  0.00176179  1.0
  Th  Th7  1  0.33295501  0.66658378  0.00176310  1.0
  Th  Th8  1  0.33295501  0.66658378  0.49823690  1.0
  Th  Th9  1  0.66704406  0.33363220  0.49823821  1.0
  Bi  Bi10  1  0.39137110  0.39125961  0.75000000  1.0
  Bi  Bi11  1  0.60858713  0.99982275  0.75000000  1.0
  Pb  Pb12  1  0.00010379  0.60899286  0.75000000  1.0
  Pb  Pb13  1  0.60996097  0.60950731  0.25000000  1.0
  Pb  Pb14  1  0.38992538  0.99932897  0.25000000  1.0
  Pb  Pb15  1  0.00009548  0.39047974  0.25000000  1.0
  S  S16  1  0.99999282  0.00091414  0.99952231  1.0
  S  S17  1  0.99999282  0.00091414  0.50047769  1.0