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 [P222_1]
_cell_length_a [5.9405]
_cell_length_b [19.8618]
_cell_length_c [5.1644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [17]
_chemical_formula_structural [V2Se3]
_chemical_formula_sum '[V4 Se6]'
_cell_volume [609.3430]
_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  0.1642  0.5000  0.5000  1
  V  V1  2  0.5000  0.4265  0.2500  1
  Se  Se2  4  0.2306  0.3776  0.5093  1
  Se  Se3  2  0.2546  0.5000  0.0000  1
]