data_[Li1Ce1Nd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5728]
_cell_length_b [3.5728]
_cell_length_c [9.2895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LiCeNd2]
_chemical_formula_sum '[Li1 Ce1 Nd2]'
_cell_volume [118.5783]
_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
[
  Li  Li0  1  0.5000  0.5000  0.0000  1.0
  Ce  Ce1  1  0.5000  0.5000  0.5000  1.0
  Nd  Nd2  2  0.0000  0.0000  0.2386  1.0
]