data_[La12Y4Er8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3925]
_cell_length_b [3.5563]
_cell_length_c [17.8924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3YEr2]
_chemical_formula_sum '[La12 Y4 Er8]'
_cell_volume [832.2372]
_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
[
  La  La0  4  0.0660  0.0000  0.1692  1
  La  La1  4  0.1258  0.5000  0.9905  1
  La  La2  4  0.2321  0.5000  0.3382  1
  Y  Y3  4  0.0428  0.5000  0.6793  1
  Er  Er4  4  0.1323  0.5000  0.5021  1
  Er  Er5  4  0.1968  0.0000  0.8343  1
]