data_[V4Ni2S8]
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 [C2/m]
_cell_length_a [12.1638]
_cell_length_b [3.2242]
_cell_length_c [5.8547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2NiS4]
_chemical_formula_sum '[V4 Ni2 S8]'
_cell_volume [206.7812]
_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  0.2418  0.5000  0.6909  1.0
  Ni  Ni1  2  0.0000  0.0000  0.0000  1.0
  S  S2  4  0.1073  0.0000  0.4466  1.0
  S  S3  4  0.1386  0.5000  0.9801  1.0
]