data_[La8Tb8Er20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [14.9357]
_cell_length_b [11.8704]
_cell_length_c [6.7290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [La2Tb2Er5]
_chemical_formula_sum '[La8 Tb8 Er20]'
_cell_volume [1192.9918]
_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  0.1280  0.0017  0.9375  1
  Tb  Tb1  4  0.0000  0.0000  0.4790  1
  Tb  Tb2  4  0.2500  0.0098  0.3935  1
  Er  Er3  8  0.0526  0.7468  0.7989  1
  Er  Er4  8  0.1429  0.2329  0.6144  1
  Er  Er5  4  0.2500  0.7429  0.5900  1
]