data_[La2Nd8Er6]
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 [Pmn2_1]
_cell_length_a [11.7602]
_cell_length_b [7.3399]
_cell_length_c [6.3466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LaNd4Er3]
_chemical_formula_sum '[La2 Nd8 Er6]'
_cell_volume [547.8241]
_cell_formula_units_Z [2]
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  2  0.0000  0.3739  0.1462  1.0
  Nd  Nd1  4  0.2448  0.8738  0.4829  1.0
  Nd  Nd2  2  0.0000  0.1289  0.6547  1.0
  Nd  Nd3  2  0.0000  0.8695  0.1405  1.0
  Er  Er4  4  0.2495  0.3800  0.4803  1.0
  Er  Er5  2  0.0000  0.6221  0.6473  1.0
]