data_[Al4Bi4Pb8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0978]
_cell_length_b [18.6720]
_cell_length_c [13.2241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [AlBiPb2Se5]
_chemical_formula_sum '[Al4 Bi4 Pb8 Se20]'
_cell_volume [1011.8283]
_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
[
  Al  Al0  4  0.0000  0.4475  0.4216  1.0
  Bi  Bi1  4  0.0000  0.2002  0.0317  1.0
  Pb  Pb2  4  0.0000  0.1196  0.3293  1.0
  Pb  Pb3  4  0.0000  0.1267  0.6771  1.0
  Se  Se4  4  0.0000  0.0323  0.0243  1.0
  Se  Se5  4  0.0000  0.2900  0.6879  1.0
  Se  Se6  4  0.0000  0.3226  0.3694  1.0
  Se  Se7  4  0.0000  0.3525  0.0152  1.0
  Se  Se8  4  0.0000  0.4876  0.7675  1.0
]