data_[K6Zn4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3808]
_cell_length_b [3.9759]
_cell_length_c [10.0485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.4383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3(ZnSe2)2]
_chemical_formula_sum '[K6 Zn4 Se8]'
_cell_volume [524.2800]
_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  0.1108  0.5000  0.7217  1.0
  K  K1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.1923  0.5000  0.3519  1.0
  Se  Se3  4  0.1166  0.0000  0.4121  1.0
  Se  Se4  4  0.1918  0.5000  0.1117  1.0
]