data_[K4Ag12Se8]
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 [16.7021]
_cell_length_b [4.4316]
_cell_length_c [8.9586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3959]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KAg3Se2]
_chemical_formula_sum '[K4 Ag12 Se8]'
_cell_volume [599.0133]
_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  0.1362  0.0000  0.0505  1.0
  Ag  Ag1  4  0.0563  0.0000  0.4003  1.0
  Ag  Ag2  4  0.0934  0.5000  0.6481  1.0
  Ag  Ag3  4  0.1867  0.5000  0.4323  1.0
  Se  Se4  4  0.0148  0.5000  0.2091  1.0
  Se  Se5  4  0.2019  0.0000  0.7050  1.0
]