data_[K6N18Cl72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [11.9115]
_cell_length_b [11.9115]
_cell_length_c [35.3372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [161]
_chemical_formula_structural [K(NCl4)3]
_chemical_formula_sum '[K6 N18 Cl72]'
_cell_volume [4342.0708]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1432  1
  N  N1  18  0.0353  0.2900  0.9999  1
  Cl  Cl2  18  0.0094  0.2648  0.0488  1
  Cl  Cl3  18  0.0193  0.4834  0.1512  1
  Cl  Cl4  18  0.0770  0.3389  0.3148  1
  Cl  Cl5  18  0.0924  0.6861  0.2916  1
]