data_[Er4Al4Pb4Se12]
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 [Cmcm]
_cell_length_a [3.9388]
_cell_length_b [14.9446]
_cell_length_c [11.0713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ErAlPbSe3]
_chemical_formula_sum '[Er4 Al4 Pb4 Se12]'
_cell_volume [651.6978]
_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  0.5000  0.0000  1
  Al  Al1  4  0.0000  0.1304  0.7500  1
  Pb  Pb2  4  0.0000  0.2064  0.2500  1
  Se  Se3  8  0.0000  0.1360  0.5070  1
  Se  Se4  4  0.0000  0.4804  0.2500  1
]