data_[La4Y4Er12]
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 [16.7935]
_cell_length_b [5.4379]
_cell_length_c [7.0408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0072]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaYEr3]
_chemical_formula_sum '[La4 Y4 Er12]'
_cell_volume [642.9698]
_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  0.1987  0.0000  0.7528  1.0
  Y  Y1  4  0.1054  0.5000  0.4970  1.0
  Er  Er2  4  0.0020  0.0000  0.2484  1.0
  Er  Er3  4  0.1047  0.5000  0.0037  1.0
  Er  Er4  4  0.1983  0.0000  0.2494  1.0
]