data_[K4Zn4F12]
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 [7.6166]
_cell_length_b [5.5137]
_cell_length_c [7.7831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5505]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KZnF3]
_chemical_formula_sum '[K4 Zn4 F12]'
_cell_volume [299.6314]
_cell_formula_units_Z [4]
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  0.3802  0.7375  0.8665  1.0
  Zn  Zn1  4  0.0829  0.2418  0.1153  1.0
  F  F2  4  0.0571  0.0629  0.3615  1.0
  F  F3  4  0.1719  0.5839  0.5329  1.0
  F  F4  4  0.3536  0.1945  0.7725  1.0
]