data_[Li2Nd4Cl12]
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 [P4_2/mnm]
_cell_length_a [6.5468]
_cell_length_b [6.5468]
_cell_length_c [11.9003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [LiNd2Cl6]
_chemical_formula_sum '[Li2 Nd4 Cl12]'
_cell_volume [510.0613]
_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
[
  Li  Li0  2  0.0000  0.0000  0.5000  1.0
  Nd  Nd1  4  0.0000  0.0000  0.1551  1.0
  Cl  Cl2  8  0.1972  0.8028  0.3387  1.0
  Cl  Cl3  4  0.2244  0.7756  0.0000  1.0
]