data_[K4Ag4As2Se8]
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 [C2/m]
_cell_length_a [15.7269]
_cell_length_b [4.0935]
_cell_length_c [7.8890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9505]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Ag2AsSe4]
_chemical_formula_sum '[K4 Ag4 As2 Se8]'
_cell_volume [474.3055]
_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  4  0.1325  0.0000  0.5660  1
  Ag  Ag1  4  0.1849  0.5000  0.9742  1
  As  As2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.0091  0.5000  0.7688  1
  Se  Se4  4  0.1869  0.0000  0.1929  1
]