data_[K8Si4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.1737]
_cell_length_b [4.1004]
_cell_length_c [9.5607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K4Si2Se]
_chemical_formula_sum '[K8 Si4 Se2]'
_cell_volume [466.3264]
_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  0.1218  0.0000  0.6421  1
  K  K1  2  0.1543  0.5000  0.0268  1
  K  K2  2  0.3413  0.0000  0.4944  1
  K  K3  2  0.4605  0.5000  0.2072  1
  Si  Si4  2  0.3523  0.0000  0.9190  1
  Si  Si5  2  0.4003  0.5000  0.8147  1
  Se  Se6  2  0.1338  0.5000  0.3808  1
]