# generated using pymatgen
data_Li2NbV5S12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.60252248
_cell_length_b   5.60252336
_cell_length_c   13.05715784
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000072
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbV5S12
_chemical_formula_sum   'Li2 Nb1 V5 S12'
_cell_volume   354.93315232
_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  0.00000000  0.00000000  0.99770886  1.0
  Li  Li1  1  0.00000000  0.00000000  0.50229114  1.0
  Nb  Nb2  1  0.66666700  0.33333300  0.25000000  1.0
  V  V3  1  0.33333300  0.66666700  0.25000000  1.0
  V  V4  1  0.00000000  0.00000000  0.25000000  1.0
  V  V5  1  0.00000000  0.00000000  0.75000000  1.0
  V  V6  1  0.33333300  0.66666700  0.75000000  1.0
  V  V7  1  0.66666700  0.33333300  0.75000000  1.0
  S  S8  1  0.00021954  0.66875760  0.63808230  1.0
  S  S9  1  0.00021954  0.66875760  0.86191770  1.0
  S  S10  1  0.01129928  0.33304036  0.13437768  1.0
  S  S11  1  0.01129928  0.33304036  0.36562232  1.0
  S  S12  1  0.33124240  0.33146195  0.63808230  1.0
  S  S13  1  0.33124240  0.33146195  0.86191770  1.0
  S  S14  1  0.66695964  0.67825792  0.13437768  1.0
  S  S15  1  0.66695964  0.67825792  0.36562232  1.0
  S  S16  1  0.32174208  0.98870072  0.13437768  1.0
  S  S17  1  0.32174208  0.98870072  0.36562232  1.0
  S  S18  1  0.66853805  0.99978046  0.63808230  1.0
  S  S19  1  0.66853805  0.99978046  0.86191770  1.0