# generated using pymatgen
data_V3NiS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62161166
_cell_length_b   5.62161166
_cell_length_c   17.19015891
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3NiS6
_chemical_formula_sum   'V9 Ni3 S18'
_cell_volume   470.47029286
_cell_formula_units_Z   3
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
  V  V1  1  0.66666700  0.33333300  0.00381700  1
  V  V2  1  0.00000000  0.00000000  0.32951600  1
  V  V3  1  0.66666700  0.33333300  0.33333300  1
  V  V4  1  0.33333300  0.66666700  0.33715000  1
  V  V5  1  0.66666700  0.33333300  0.66285000  1
  V  V6  1  0.33333300  0.66666700  0.66666700  1
  V  V7  1  0.00000000  0.00000000  0.67048400  1
  V  V8  1  0.33333300  0.66666700  0.99618300  1
  Ni  Ni9  1  0.33333300  0.66666700  0.16666700  1
  Ni  Ni10  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni11  1  0.66666700  0.33333300  0.83333300  1
  S  S12  1  0.33685600  0.33566700  0.24894000  1
  S  S13  1  0.99881100  0.66314400  0.24894000  1
  S  S14  1  0.66433300  0.00118900  0.24894000  1
  S  S15  1  0.00233300  0.33214400  0.08439400  1
  S  S16  1  0.66785600  0.67018900  0.08439400  1
  S  S17  1  0.32981100  0.99766700  0.08439400  1
  S  S18  1  0.00352200  0.66900000  0.58227300  1
  S  S19  1  0.66547700  0.99647800  0.58227300  1
  S  S20  1  0.33100000  0.33452300  0.58227300  1
  S  S21  1  0.66900000  0.66547700  0.41772700  1
  S  S22  1  0.33452300  0.00352200  0.41772700  1
  S  S23  1  0.99647800  0.33100000  0.41772700  1
  S  S24  1  0.67018900  0.00233300  0.91560600  1
  S  S25  1  0.33214400  0.32981100  0.91560600  1
  S  S26  1  0.99766700  0.66785600  0.91560600  1
  S  S27  1  0.33566700  0.99881100  0.75106000  1
  S  S28  1  0.00118900  0.33685600  0.75106000  1
  S  S29  1  0.66314400  0.66433300  0.75106000  1
