data_[La3Nd5Er3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [11.4776]
_cell_length_b [11.4776]
_cell_length_c [3.4579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [La3Nd5Er3]
_chemical_formula_sum '[La3 Nd5 Er3]'
_cell_volume [394.4940]
_cell_formula_units_Z [1]
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  3  0.0000  0.5987  0.5000  1
  Nd  Nd1  3  0.0000  0.3355  0.0000  1
  Nd  Nd2  2  0.3333  0.6667  0.0000  1
  Er  Er3  3  0.0000  0.8423  0.0000  1
]