data_[La8Pm20Er8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [15.0519]
_cell_length_b [12.0267]
_cell_length_c [6.8671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [La2Pm5Er2]
_chemical_formula_sum '[La8 Pm20 Er8]'
_cell_volume [1243.1040]
_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  0.1260  0.4966  0.4382  1
  Pm  Pm1  8  0.0531  0.7493  0.7923  1
  Pm  Pm2  8  0.1432  0.2339  0.6210  1
  Pm  Pm3  4  0.2500  0.7405  0.5886  1
  Er  Er4  4  0.0000  0.0000  0.4711  1
  Er  Er5  4  0.2500  0.0080  0.4013  1
]