data_[Na8Nd4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.3774]
_cell_length_b [8.6268]
_cell_length_c [12.5470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Na2NdCl4]
_chemical_formula_sum '[Na8 Nd4 Cl16]'
_cell_volume [798.5285]
_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
[
  Na  Na0  4  0.0000  0.0000  0.5000  1.0
  Na  Na1  4  0.0000  0.2500  0.1283  1.0
  Nd  Nd2  4  0.2500  0.2500  0.7500  1.0
  Cl  Cl3  8  0.0000  0.0101  0.2702  1.0
  Cl  Cl4  8  0.2452  0.2500  0.5262  1.0
]