# generated using pymatgen
data_Th5Bi3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.62841839
_cell_length_b   9.62841910
_cell_length_c   6.70034736
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999756
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th5Bi3As
_chemical_formula_sum   'Th10 Bi6 As2'
_cell_volume   537.94503022
_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  0.74431011  0.74431011  0.25000000  1.0
  Th  Th5  1  0.25568989  0.00000000  0.25000000  1.0
  Th  Th6  1  0.00000000  0.25568989  0.25000000  1.0
  Th  Th7  1  0.25568989  0.25568989  0.75000000  1.0
  Th  Th8  1  0.74431011  0.00000000  0.75000000  1.0
  Th  Th9  1  1.00000000  0.74431011  0.75000000  1.0
  Bi  Bi10  1  0.39168540  0.39168540  0.25000000  1.0
  Bi  Bi11  1  0.60831460  0.00000000  0.25000000  1.0
  Bi  Bi12  1  0.00000000  0.60831460  0.25000000  1.0
  Bi  Bi13  1  0.60831460  0.60831460  0.75000000  1.0
  Bi  Bi14  1  0.39168540  0.00000000  0.75000000  1.0
  Bi  Bi15  1  0.00000000  0.39168540  0.75000000  1.0
  As  As16  1  0.00000000  0.00000000  0.50000000  1.0
  As  As17  1  0.00000000  0.00000000  0.00000000  1.0