data_[V10Se16]
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 [C2/m]
_cell_length_a [11.8656]
_cell_length_b [7.0827]
_cell_length_c [8.4214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.0105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V5Se8]
_chemical_formula_sum '[V10 Se16]'
_cell_volume [509.0133]
_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  4  0.0000  0.2892  0.5000  1.0
  V  V1  4  0.2251  0.5000  0.9524  1.0
  V  V2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  8  0.2093  0.2557  0.1711  1.0
  Se  Se4  4  0.0161  0.0000  0.3202  1.0
  Se  Se5  4  0.0610  0.5000  0.3389  1.0
]