data_[K2Ag2W2Se8]
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
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0291]
_cell_length_b [7.5798]
_cell_length_c [10.0608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KAgWSe4]
_chemical_formula_sum '[K2 Ag2 W2 Se8]'
_cell_volume [445.3936]
_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  0.2953  0.2500  0.1147  1.0
  Ag  Ag1  2  0.3374  0.2500  0.7145  1.0
  W  W2  2  0.1629  0.7500  0.2845  1.0
  Se  Se3  4  0.0461  0.5118  0.7100  1.0
  Se  Se4  2  0.2892  0.7500  0.0761  1.0
  Se  Se5  2  0.4554  0.7500  0.4863  1.0
]