data_[K2V2Ag2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  V  1.6300  1.3500  0.7775
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9999]
_cell_length_b [7.3356]
_cell_length_c [9.7547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KVAgSe4]
_chemical_formula_sum '[K2 V2 Ag2 Se8]'
_cell_volume [411.0805]
_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  0.3478  0.2500  0.1385  1.0
  V  V1  2  0.1420  0.7500  0.2646  1.0
  Ag  Ag2  2  0.3516  0.2500  0.7240  1.0
  Se  Se3  4  0.0627  0.5140  0.7338  1.0
  Se  Se4  2  0.2633  0.7500  0.0580  1.0
  Se  Se5  2  0.4385  0.7500  0.4747  1.0
]