data_[La8Ho2Er20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.7766]
_cell_length_b [9.7766]
_cell_length_c [10.6155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [La4HoEr10]
_chemical_formula_sum '[La8 Ho2 Er20]'
_cell_volume [1014.6538]
_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  8  0.0675  0.6642  0.0000  1
  Ho  Ho1  2  0.0000  0.0000  0.0000  1
  Er  Er2  16  0.1130  0.7908  0.3388  1
  Er  Er3  4  0.0000  0.5000  0.2500  1
]