data_[La6Nd2Er8]
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 [11.5161]
_cell_length_b [7.2502]
_cell_length_c [6.2998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [La3NdEr4]
_chemical_formula_sum '[La6 Nd2 Er8]'
_cell_volume [526.0003]
_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  4  0.2493  0.3743  0.0197  1.0
  La  La1  2  0.0000  0.3719  0.3519  1.0
  Nd  Nd2  2  0.0000  0.6310  0.8513  1.0
  Er  Er3  4  0.2498  0.8812  0.0203  1.0
  Er  Er4  2  0.0000  0.1201  0.8518  1.0
  Er  Er5  2  0.0000  0.8795  0.3498  1.0
]