data_[K8Ag16Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3005]
_cell_length_b [4.4776]
_cell_length_c [12.0468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3204]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Ag4Se3]
_chemical_formula_sum '[K8 Ag16 Se12]'
_cell_volume [937.1106]
_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  0.1636  0.5000  0.8382  1.0
  K  K1  4  0.1850  0.0000  0.3427  1.0
  Ag  Ag2  4  0.0104  0.0000  0.8780  1.0
  Ag  Ag3  4  0.0194  0.0000  0.6303  1.0
  Ag  Ag4  4  0.0855  0.5000  0.0821  1.0
  Ag  Ag5  4  0.0894  0.5000  0.5160  1.0
  Se  Se6  4  0.0337  0.5000  0.2765  1.0
  Se  Se7  4  0.1466  0.0000  0.0419  1.0
  Se  Se8  4  0.1625  0.0000  0.6158  1.0
]