data_[K4Ag8Se8]
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/c]
_cell_length_a [6.9339]
_cell_length_b [12.1562]
_cell_length_c [7.2001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K(AgSe)2]
_chemical_formula_sum '[K4 Ag8 Se8]'
_cell_volume [562.8953]
_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  0.0000  0.3831  0.2500  1
  Ag  Ag1  4  0.0000  0.0600  0.2500  1
  Ag  Ag2  4  0.0000  0.2487  0.7500  1
  Se  Se3  8  0.2116  0.1088  0.0377  1
]