data_[V2Ag6Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pmn2_1]
_cell_length_a [8.1064]
_cell_length_b [7.2098]
_cell_length_c [6.9641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [VAg3Se4]
_chemical_formula_sum '[V2 Ag6 Se8]'
_cell_volume [407.0249]
_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
[
  V  V0  2  0.0000  0.3193  0.0068  1
  Ag  Ag1  4  0.2459  0.8162  0.9850  1
  Ag  Ag2  2  0.0000  0.6545  0.5003  1
  Se  Se3  4  0.2336  0.1640  0.1115  1
  Se  Se4  2  0.0000  0.3265  0.6781  1
  Se  Se5  2  0.0000  0.6176  0.1239  1
]