data_[V2Se4I4]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9356]
_cell_length_b [6.9424]
_cell_length_c [8.4470]
_cell_angle_alpha [88.6225]
_cell_angle_beta [68.6546]
_cell_angle_gamma [61.8335]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [V(SeI)2]
_chemical_formula_sum '[V2 Se4 I4]'
_cell_volume [328.5088]
_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  0.1204  0.1196  0.9998  1
  Se  Se1  2  0.1468  0.9399  0.7283  1
  Se  Se2  2  0.2111  0.7564  0.1010  1
  I  I3  2  0.2290  0.4266  0.7920  1
  I  I4  2  0.3597  0.1623  0.2079  1
]