# generated using pymatgen
data_LiNb6VS12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82163348
_cell_length_b   5.82163306
_cell_length_c   12.61805128
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000811
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb6VS12
_chemical_formula_sum   'Li1 Nb6 V1 S12'
_cell_volume   370.35019003
_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
  Li  Li0  1  0.66666700  0.33333300  0.75000000  1.0
  Nb  Nb1  1  0.33333300  0.66666700  0.49415053  1.0
  Nb  Nb2  1  0.66666700  0.33333300  0.00933884  1.0
  Nb  Nb3  1  0.66666700  0.33333300  0.49066116  1.0
  Nb  Nb4  1  0.33333300  0.66666700  0.00584947  1.0
  Nb  Nb5  1  0.00000000  0.00000000  0.49136088  1.0
  Nb  Nb6  1  0.00000000  0.00000000  0.00863912  1.0
  V  V7  1  0.33333300  0.66666700  0.25000000  1.0
  S  S8  1  0.66452723  0.66706975  0.36773109  1.0
  S  S9  1  0.33293025  0.99745848  0.36773109  1.0
  S  S10  1  0.00254152  0.33547277  0.36773109  1.0
  S  S11  1  0.99838456  0.66751359  0.88406449  1.0
  S  S12  1  0.33248641  0.00161544  0.61593551  1.0
  S  S13  1  0.33248641  0.33086897  0.88406449  1.0
  S  S14  1  0.66913103  0.00161544  0.88406449  1.0
  S  S15  1  0.33293025  0.33547277  0.13226891  1.0
  S  S16  1  0.66452723  0.99745848  0.13226891  1.0
  S  S17  1  0.66913103  0.66751359  0.61593551  1.0
  S  S18  1  0.99838456  0.33086897  0.61593551  1.0
  S  S19  1  0.00254152  0.66706975  0.13226891  1.0