# generated using pymatgen
data_Nb3VS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81984435
_cell_length_b   5.81984490
_cell_length_c   12.23902056
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001306
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3VS6
_chemical_formula_sum   'Nb6 V2 S12'
_cell_volume   359.00460529
_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
  Nb  Nb0  1  0.33333300  0.66666700  0.50226462  1.0
  Nb  Nb1  1  0.66666700  0.33333300  0.00219698  1.0
  Nb  Nb2  1  0.66666700  0.33333300  0.49780302  1.0
  Nb  Nb3  1  0.33333300  0.66666700  0.99773638  1.0
  Nb  Nb4  1  0.00000000  0.00000000  0.50003229  1.0
  Nb  Nb5  1  0.00000000  0.00000000  0.99996771  1.0
  V  V6  1  0.66666700  0.33333300  0.75000000  1.0
  V  V7  1  0.33333300  0.66666700  0.25000000  1.0
  S  S8  1  0.66566726  0.66857516  0.37158153  1.0
  S  S9  1  0.33142484  0.99709210  0.37158153  1.0
  S  S10  1  0.00290790  0.33433274  0.37158153  1.0
  S  S11  1  0.99710795  0.66569635  0.87152543  1.0
  S  S12  1  0.33430265  0.00289205  0.62847457  1.0
  S  S13  1  0.33430365  0.33141160  0.87152543  1.0
  S  S14  1  0.66858840  0.00289205  0.87152543  1.0
  S  S15  1  0.33142484  0.33433274  0.12841847  1.0
  S  S16  1  0.66566726  0.99709210  0.12841847  1.0
  S  S17  1  0.66858840  0.66569635  0.62847457  1.0
  S  S18  1  0.99710795  0.33141160  0.62847457  1.0
  S  S19  1  0.00290790  0.66857516  0.12841847  1.0