data_[La4Y12Er4]
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 [11.9892]
_cell_length_b [3.6126]
_cell_length_c [15.6586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3083]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaY3Er]
_chemical_formula_sum '[La4 Y12 Er4]'
_cell_volume [662.6201]
_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  0.0505  0.5000  0.3478  1.0
  Y  Y1  4  0.0524  0.0000  0.8515  1.0
  Y  Y2  4  0.1493  0.5000  0.0494  1.0
  Y  Y3  4  0.1520  0.0000  0.5520  1.0
  Er  Er4  4  0.2496  0.0000  0.2473  1.0
]