data_[V3Ag3Se6]
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 [R3m]
_cell_length_a [3.3741]
_cell_length_b [3.3741]
_cell_length_c [23.6744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [VAgSe2]
_chemical_formula_sum '[V3 Ag3 Se6]'
_cell_volume [233.4067]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.2579  1.0
  Ag  Ag1  3  0.0000  0.0000  0.7509  1.0
  Se  Se2  3  0.0000  0.0000  0.8601  1.0
  Se  Se3  3  0.0000  0.0000  0.9915  1.0
]