# generated using pymatgen
data_Th5Pb3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.67839000
_cell_length_b   9.67839008
_cell_length_c   6.66502130
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000315
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th5Pb3Br
_chemical_formula_sum   'Th10 Pb6 Br2'
_cell_volume   540.67762833
_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  0.71828688  0.71828688  0.25000000  1.0
  Th  Th5  1  0.28171312  1.00000000  0.25000000  1.0
  Th  Th6  1  1.00000000  0.28171312  0.25000000  1.0
  Th  Th7  1  0.28171312  0.28171312  0.75000000  1.0
  Th  Th8  1  0.71828688  0.00000000  0.75000000  1.0
  Th  Th9  1  0.00000000  0.71828688  0.75000000  1.0
  Pb  Pb10  1  0.37785453  0.37785453  0.25000000  1.0
  Pb  Pb11  1  0.62214547  0.00000000  0.25000000  1.0
  Pb  Pb12  1  0.00000000  0.62214547  0.25000000  1.0
  Pb  Pb13  1  0.62214547  0.62214547  0.75000000  1.0
  Pb  Pb14  1  0.37785453  1.00000000  0.75000000  1.0
  Pb  Pb15  1  1.00000000  0.37785453  0.75000000  1.0
  Br  Br16  1  0.00000000  0.00000000  0.50000000  1.0
  Br  Br17  1  0.00000000  0.00000000  0.00000000  1.0