data_[V2Ni4S6]
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 [6.7275]
_cell_length_b [3.3865]
_cell_length_c [9.5308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1119]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [VNi2S3]
_chemical_formula_sum '[V2 Ni4 S6]'
_cell_volume [209.6279]
_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  0.2217  0.2500  0.7080  1.0
  Ni  Ni1  2  0.0712  0.2500  0.4294  1.0
  Ni  Ni2  2  0.3983  0.7500  0.9129  1.0
  S  S3  2  0.0569  0.7500  0.8124  1.0
  S  S4  2  0.2689  0.7500  0.5286  1.0
  S  S5  2  0.4477  0.7500  0.1612  1.0
]