# generated using pymatgen
data_Th5Bi3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.65306956
_cell_length_b   9.65306954
_cell_length_c   6.63197875
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999655
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th5Bi3Se
_chemical_formula_sum   'Th10 Bi6 Se2'
_cell_volume   535.18587600
_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  0.66666700  0.33333300  0.50000000  1.0
  Th  Th1  1  0.33333300  0.66666700  0.50000000  1.0
  Th  Th2  1  0.33333300  0.66666700  0.00000000  1.0
  Th  Th3  1  0.66666700  0.33333300  0.00000000  1.0
  Th  Th4  1  0.73403398  0.73403398  0.25000000  1.0
  Th  Th5  1  0.26596602  1.00000000  0.25000000  1.0
  Th  Th6  1  1.00000000  0.26596602  0.25000000  1.0
  Th  Th7  1  0.26596602  0.26596602  0.75000000  1.0
  Th  Th8  1  0.73403398  0.00000000  0.75000000  1.0
  Th  Th9  1  0.00000000  0.73403398  0.75000000  1.0
  Bi  Bi10  1  0.38573847  0.38573847  0.25000000  1.0
  Bi  Bi11  1  0.61426153  0.00000000  0.25000000  1.0
  Bi  Bi12  1  0.00000000  0.61426153  0.25000000  1.0
  Bi  Bi13  1  0.61426153  0.61426153  0.75000000  1.0
  Bi  Bi14  1  0.38573847  1.00000000  0.75000000  1.0
  Bi  Bi15  1  1.00000000  0.38573847  0.75000000  1.0
  Se  Se16  1  0.00000000  0.00000000  0.50000000  1.0
  Se  Se17  1  0.00000000  0.00000000  0.00000000  1.0