data_[K4V2Ag2Se8]
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 [P1]
_cell_length_a [6.0278]
_cell_length_b [7.4578]
_cell_length_c [12.1620]
_cell_angle_alpha [84.2522]
_cell_angle_beta [75.6518]
_cell_angle_gamma [66.1633]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K2VAgSe4]
_chemical_formula_sum '[K4 V2 Ag2 Se8]'
_cell_volume [484.4973]
_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  1  0.1843  0.0033  0.6386  1
  K  K1  1  0.5670  0.4936  0.8643  1
  K  K2  1  0.8261  0.9996  0.3646  1
  K  K3  1  0.9245  0.4986  0.1362  1
  V  V4  1  0.7573  0.4981  0.5018  1
  V  V5  1  0.9990  0.0029  0.9962  1
  Ag  Ag6  1  0.2418  0.5057  0.5006  1
  Ag  Ag7  1  0.4954  0.0068  0.9987  1
  Se  Se8  1  0.1246  0.2898  0.3809  1
  Se  Se9  1  0.1572  0.2072  0.8808  1
  Se  Se10  1  0.2571  0.7971  0.1183  1
  Se  Se11  1  0.5039  0.6977  0.3819  1
  Se  Se12  1  0.5807  0.2928  0.6193  1
  Se  Se13  1  0.6307  0.1987  0.1159  1
  Se  Se14  1  0.8057  0.7015  0.6149  1
  Se  Se15  1  0.9524  0.7961  0.8792  1
]