data_[Th12Bi6As4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6278]
_cell_length_b [4.4539]
_cell_length_c [9.0233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3350]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6Bi3As2Pb]
_chemical_formula_sum '[Th12 Bi6 As4 Pb2]'
_cell_volume [764.2523]
_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  4  0.0120  0.0000  0.2527  1
  Th  Th1  4  0.1692  0.5000  0.1105  1
  Th  Th2  4  0.1745  0.5000  0.5658  1
  Bi  Bi3  4  0.1615  0.0000  0.8328  1
  Bi  Bi4  2  0.0000  0.5000  0.5000  1
  As  As5  4  0.1686  0.0000  0.3358  1
  Pb  Pb6  2  0.0000  0.5000  0.0000  1
]