data_[V4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1374]
_cell_length_b [6.2417]
_cell_length_c [6.8618]
_cell_angle_alpha [90.6694]
_cell_angle_beta [115.6601]
_cell_angle_gamma [119.4279]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [V2Se3]
_chemical_formula_sum '[V4 Se6]'
_cell_volume [197.7536]
_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  0.3605  0.7020  0.0025  1.0
  V  V1  1  0.0000  0.0000  0.0000  1.0
  V  V2  1  0.0000  0.5000  0.5000  1.0
  Se  Se3  2  0.1590  0.4189  0.2360  1.0
  Se  Se4  2  0.1717  0.2603  0.7533  1.0
  Se  Se5  2  0.4995  0.9166  0.7321  1.0
]