data_[K6Zn2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zn  1.6500  1.3500  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1783]
_cell_length_b [6.3821]
_cell_length_c [10.7251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3ZnF6]
_chemical_formula_sum '[K6 Zn2 F12]'
_cell_volume [346.6733]
_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  0.2373  0.0495  0.7510  1.0
  K  K1  2  0.5000  0.0000  0.5000  1.0
  Zn  Zn2  2  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.1111  0.2433  0.4427  1.0
  F  F4  4  0.2173  0.6753  0.4580  1.0
  F  F5  4  0.3067  0.0385  0.2142  1.0
]