data_[K2Nd2Zn2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [6.8637]
_cell_length_b [6.8637]
_cell_length_c [13.8143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [KNdZnCl6]
_chemical_formula_sum '[K2 Nd2 Zn2 Cl12]'
_cell_volume [563.6051]
_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  2  0.0000  0.0000  0.0000  1.0
  Nd  Nd1  2  0.3333  0.6667  0.7500  1.0
  Zn  Zn2  2  0.3333  0.6667  0.2500  1.0
  Cl  Cl3  12  0.0273  0.3836  0.1427  1.0
]