data_[Er4Al4Pb8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [4.0591]
_cell_length_b [18.5603]
_cell_length_c [13.3355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [ErAlPb2Se5]
_chemical_formula_sum '[Er4 Al4 Pb8 Se20]'
_cell_volume [1004.6773]
_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
[
  Er  Er0  4  0.0000  0.1976  0.0293  1.0
  Al  Al1  4  0.0000  0.4428  0.4240  1.0
  Pb  Pb2  4  0.0000  0.1170  0.3278  1.0
  Pb  Pb3  4  0.0000  0.1384  0.6720  1.0
  Se  Se4  4  0.0000  0.0383  0.0275  1.0
  Se  Se5  4  0.0000  0.2990  0.6780  1.0
  Se  Se6  4  0.0000  0.3160  0.3787  1.0
  Se  Se7  4  0.0000  0.3486  0.0153  1.0
  Se  Se8  4  0.0000  0.4920  0.7712  1.0
]