data_[Y4Al4Pb8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  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 [4.0708]
_cell_length_b [18.5980]
_cell_length_c [13.3416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [YAlPb2Se5]
_chemical_formula_sum '[Y4 Al4 Pb8 Se20]'
_cell_volume [1010.0820]
_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
[
  Y  Y0  4  0.0000  0.1973  0.0299  1.0
  Al  Al1  4  0.0000  0.4434  0.4231  1.0
  Pb  Pb2  4  0.0000  0.1167  0.3286  1.0
  Pb  Pb3  4  0.0000  0.1380  0.6720  1.0
  Se  Se4  4  0.0000  0.0371  0.0260  1.0
  Se  Se5  4  0.0000  0.2986  0.6804  1.0
  Se  Se6  4  0.0000  0.3171  0.3777  1.0
  Se  Se7  4  0.0000  0.3494  0.0158  1.0
  Se  Se8  4  0.0000  0.4913  0.7706  1.0
]