data_[La8Er2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2701]
_cell_length_b [4.2701]
_cell_length_c [30.1730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [La4ErSe5]
_chemical_formula_sum '[La8 Er2 Se10]'
_cell_volume [550.1577]
_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
[
  La  La0  4  0.0000  0.0000  0.1967  1.0
  La  La1  4  0.0000  0.0000  0.3996  1.0
  Er  Er2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0000  0.0000  0.0946  1.0
  Se  Se4  4  0.0000  0.0000  0.2985  1.0
  Se  Se5  2  0.0000  0.0000  0.5000  1.0
]