data_[K2Ag2As2Se6]
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
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9925]
_cell_length_b [3.9112]
_cell_length_c [9.8188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6403]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KAgAsSe3]
_chemical_formula_sum '[K2 Ag2 As2 Se6]'
_cell_volume [327.2299]
_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  0.2176  0.2500  0.2607  1.0
  Ag  Ag1  2  0.0699  0.2500  0.6074  1.0
  As  As2  2  0.3314  0.7500  0.8817  1.0
  Se  Se3  2  0.1297  0.2500  0.8920  1.0
  Se  Se4  2  0.2446  0.7500  0.5558  1.0
  Se  Se5  2  0.4651  0.7500  0.1468  1.0
]