data_[Li8Nd4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.2485]
_cell_length_b [8.0829]
_cell_length_c [11.4145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Li2NdCl4]
_chemical_formula_sum '[Li8 Nd4 Cl16]'
_cell_volume [668.7602]
_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
[
  Li  Li0  4  0.0000  0.0000  0.5000  1.0
  Li  Li1  4  0.0000  0.2500  0.1282  1.0
  Nd  Nd2  4  0.2500  0.2500  0.7500  1.0
  Cl  Cl3  8  0.0000  0.0244  0.2694  1.0
  Cl  Cl4  8  0.2400  0.2500  0.5046  1.0
]