data_[K12Na6Zr6Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3384]
_cell_length_b [7.3384]
_cell_length_c [39.3383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2NaZrCl6]
_chemical_formula_sum '[K12 Na6 Zr6 Cl36]'
_cell_volume [1834.6317]
_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  0.1398  1.0
  K  K1  6  0.0000  0.0000  0.3050  1.0
  Na  Na2  6  0.0000  0.0000  0.4143  1.0
  Zr  Zr3  3  -0.0000  -0.0000  0.5000  1.0
  Zr  Zr4  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl5  18  0.0034  0.5017  0.1292  1.0
  Cl  Cl6  18  0.0045  0.5022  0.7041  1.0
]