data_[Na2Nd2Cl6]
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 [P2_1/m]
_cell_length_a [8.0045]
_cell_length_b [3.8770]
_cell_length_c [9.2260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2957]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaNdCl3]
_chemical_formula_sum '[Na2 Nd2 Cl6]'
_cell_volume [279.7496]
_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
[
  Na  Na0  2  0.3838  0.2500  0.1493  1.0
  Nd  Nd1  2  0.1477  0.7500  0.6373  1.0
  Cl  Cl2  2  0.1049  0.7500  0.3133  1.0
  Cl  Cl3  2  0.2776  0.7500  0.9441  1.0
  Cl  Cl4  2  0.4128  0.2500  0.6467  1.0
]