data_[La8Y4Er20]
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/c]
_cell_length_a [15.9110]
_cell_length_b [9.8494]
_cell_length_c [6.6698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4991]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La2YEr5]
_chemical_formula_sum '[La8 Y4 Er20]'
_cell_volume [1033.7778]
_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  8  0.0708  0.2487  0.1049  1
  Y  Y1  4  0.2500  0.2500  0.0000  1
  Er  Er2  8  0.1047  0.4206  0.6586  1
  Er  Er3  8  0.1940  0.0922  0.5266  1
  Er  Er4  4  0.0000  0.0681  0.7500  1
]