data_[La8Pm12Er12]
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 [Cmcm]
_cell_length_a [3.6308]
_cell_length_b [17.7917]
_cell_length_c [16.9949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La2(PmEr)3]
_chemical_formula_sum '[La8 Pm12 Er12]'
_cell_volume [1097.8330]
_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  0.0000  0.2176  0.1501  1
  Pm  Pm1  8  0.0000  0.3571  0.0152  1
  Pm  Pm2  4  0.0000  0.3917  0.2500  1
  Er  Er3  8  0.0000  0.0066  0.1006  1
  Er  Er4  4  0.0000  0.4224  0.7500  1
]