data_[Bi2Te2Pb6]
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 [P-1]
_cell_length_a [4.5354]
_cell_length_b [6.6331]
_cell_length_c [11.9385]
_cell_angle_alpha [98.2759]
_cell_angle_beta [100.7536]
_cell_angle_gamma [91.4200]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BiTePb3]
_chemical_formula_sum '[Bi2 Te2 Pb6]'
_cell_volume [348.6794]
_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
[
  Bi  Bi0  2  0.0771  0.6273  0.1858  1.0
  Te  Te1  2  0.2898  0.7714  0.5995  1.0
  Pb  Pb2  2  0.1111  0.1166  0.2061  1.0
  Pb  Pb3  2  0.3160  0.2583  0.6078  1.0
  Pb  Pb4  2  0.4906  0.7468  0.0139  1.0
]