data_[K4Li2Nd2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [P2_1/c]
_cell_length_a [7.2906]
_cell_length_b [7.5637]
_cell_length_c [12.5910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2LiNdCl6]
_chemical_formula_sum '[K4 Li2 Nd2 Cl12]'
_cell_volume [570.6724]
_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
[
  K  K0  4  0.2708  0.5622  0.7521  1.0
  Li  Li1  2  0.5000  0.0000  0.0000  1.0
  Nd  Nd2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.1686  0.5228  0.2577  1.0
  Cl  Cl4  4  0.2505  0.2022  0.0450  1.0
  Cl  Cl5  4  0.3479  0.7071  0.0464  1.0
]