data_[V2S2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.7931]
_cell_length_b [4.7085]
_cell_length_c [9.2597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6434]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [VSI]
_chemical_formula_sum '[V2 S2 I2]'
_cell_volume [165.2002]
_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  0.3018  0.7500  0.9045  1.0
  S  S1  2  0.1922  0.2500  0.9347  1.0
  I  I2  2  0.2321  0.2500  0.3169  1.0
]