data_[V2Ni2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.2181]
_cell_length_b [10.9379]
_cell_length_c [5.8153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0103]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [VNiS3]
_chemical_formula_sum '[V2 Ni2 S6]'
_cell_volume [204.6910]
_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  0.4902  0.2500  0.8877  1.0
  Ni  Ni1  2  0.0100  0.7500  0.4867  1.0
  S  S2  4  0.0097  0.6067  0.2146  1.0
  S  S3  2  0.4899  0.2500  0.2707  1.0
]