data_[K1Li1Nd2Cl8]
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/m]
_cell_length_a [6.6911]
_cell_length_b [8.5679]
_cell_length_c [6.7266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KLiNd2Cl8]
_chemical_formula_sum '[K1 Li1 Nd2 Cl8]'
_cell_volume [383.4755]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Nd  Nd2  2  0.5000  0.2416  0.5000  1.0
  Cl  Cl3  4  0.2049  0.2137  0.1950  1.0
  Cl  Cl4  2  0.3095  0.0000  0.6804  1.0
  Cl  Cl5  2  0.3191  0.5000  0.6689  1.0
]