data_[La20Ho12Er4]
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 [C2/c]
_cell_length_a [15.3742]
_cell_length_b [9.8523]
_cell_length_c [9.2226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La5Ho3Er]
_chemical_formula_sum '[La20 Ho12 Er4]'
_cell_volume [1226.6139]
_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  0.1629  0.1027  0.0663  1
  La  La1  8  0.1703  0.4295  0.1043  1
  La  La2  4  0.0000  0.4489  0.2500  1
  Ho  Ho3  8  0.0824  0.2315  0.6561  1
  Ho  Ho4  4  0.2500  0.2500  0.5000  1
  Er  Er5  4  0.0000  0.0964  0.2500  1
]