data_[Bi4Te4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.4025]
_cell_length_b [6.6079]
_cell_length_c [14.8430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8646]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [BiTePb2]
_chemical_formula_sum '[Bi4 Te4 Pb8]'
_cell_volume [569.7524]
_cell_formula_units_Z [4]
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
[
  Bi  Bi0  4  0.0936  0.1368  0.1031  1.0
  Te  Te1  4  0.3827  0.2869  0.8764  1.0
  Pb  Pb2  4  0.1187  0.3574  0.6256  1.0
  Pb  Pb3  4  0.3808  0.2316  0.3710  1.0
]