# generated using pymatgen
data_V3NiS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58541375
_cell_length_b   6.58541414
_cell_length_c   6.58541446
_cell_angle_alpha   50.53220766
_cell_angle_beta   50.53220856
_cell_angle_gamma   50.53219977
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3NiS6
_chemical_formula_sum   'V3 Ni1 S6'
_cell_volume   156.82341283
_cell_formula_units_Z   1
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  1  0.00000000  0.00000000  0.00000000  1.0
  V  V1  1  0.32951600  0.32951600  0.32951600  1.0
  V  V2  1  0.67048400  0.67048400  0.67048400  1.0
  Ni  Ni3  1  0.50000000  0.50000000  0.50000000  1.0
  S  S4  1  0.41420500  0.08672700  0.75225000  1.0
  S  S5  1  0.75225000  0.41420500  0.08672700  1.0
  S  S6  1  0.08672700  0.75225000  0.41420500  1.0
  S  S7  1  0.91327300  0.24775000  0.58579500  1.0
  S  S8  1  0.24775000  0.58579500  0.91327300  1.0
  S  S9  1  0.58579500  0.91327300  0.24775000  1.0