data_[Bi6Pb26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.4876]
_cell_length_b [10.3278]
_cell_length_c [10.7216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Bi3Pb13]
_chemical_formula_sum '[Bi6 Pb26]'
_cell_volume [1050.5745]
_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  4  0.2544  0.0000  0.9798  1.0
  Bi  Bi1  2  0.0000  0.0000  0.2805  1.0
  Pb  Pb2  8  0.2495  0.2410  0.2405  1.0
  Pb  Pb3  4  0.0000  0.2325  0.0142  1.0
  Pb  Pb4  4  0.2505  0.0000  0.4960  1.0
  Pb  Pb5  4  0.5000  0.2466  0.0068  1.0
  Pb  Pb6  2  0.0000  0.0000  0.7531  1.0
  Pb  Pb7  2  0.5000  0.0000  0.2537  1.0
  Pb  Pb8  2  0.5000  0.0000  0.7572  1.0
]