data_[K2Zn2S2F2]
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
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.9347]
_cell_length_b [3.9347]
_cell_length_c [12.6827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [KZnSF]
_chemical_formula_sum '[K2 Zn2 S2 F2]'
_cell_volume [170.0470]
_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  0.3333  0.6667  0.0838  1.0
  Zn  Zn1  2  0.0000  0.0000  0.3331  1.0
  S  S2  2  0.3333  0.6667  0.7795  1.0
  F  F3  2  0.0000  0.0000  0.4913  1.0
]