# generated using pymatgen
data_Li3NbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55800900
_cell_length_b   8.78194800
_cell_length_c   10.30763700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NbS4
_chemical_formula_sum   'Li12 Nb4 S16'
_cell_volume   684.15953138
_cell_formula_units_Z   4
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  0.16121300  0.75927600  0.57404600  1
  Li  Li1  1  0.16121300  0.75927600  0.92595400  1
  Li  Li2  1  0.02671400  0.90811100  0.25000000  1
  Li  Li3  1  0.47328600  0.40811100  0.75000000  1
  Li  Li4  1  0.33878700  0.25927600  0.07404600  1
  Li  Li5  1  0.33878700  0.25927600  0.42595400  1
  Li  Li6  1  0.66121300  0.74072400  0.57404600  1
  Li  Li7  1  0.66121300  0.74072400  0.92595400  1
  Li  Li8  1  0.52671400  0.59188900  0.25000000  1
  Li  Li9  1  0.97328600  0.09188900  0.75000000  1
  Li  Li10  1  0.83878700  0.24072400  0.07404600  1
  Li  Li11  1  0.83878700  0.24072400  0.42595400  1
  Nb  Nb12  1  0.12916500  0.49557700  0.25000000  1
  Nb  Nb13  1  0.37083500  0.99557700  0.75000000  1
  Nb  Nb14  1  0.62916500  0.00442300  0.25000000  1
  Nb  Nb15  1  0.87083500  0.50442300  0.75000000  1
  S  S16  1  0.86894300  0.61927600  0.25000000  1
  S  S17  1  0.20374200  0.04993000  0.56828600  1
  S  S18  1  0.20374200  0.04993000  0.93171400  1
  S  S19  1  0.08501500  0.23513300  0.25000000  1
  S  S20  1  0.41498500  0.73513300  0.75000000  1
  S  S21  1  0.29625800  0.54993000  0.06828600  1
  S  S22  1  0.29625800  0.54993000  0.43171400  1
  S  S23  1  0.63105700  0.11927600  0.75000000  1
  S  S24  1  0.36894300  0.88072400  0.25000000  1
  S  S25  1  0.70374200  0.45007000  0.56828600  1
  S  S26  1  0.70374200  0.45007000  0.93171400  1
  S  S27  1  0.58501500  0.26486700  0.25000000  1
  S  S28  1  0.91498500  0.76486700  0.75000000  1
  S  S29  1  0.79625800  0.95007000  0.06828600  1
  S  S30  1  0.79625800  0.95007000  0.43171400  1
  S  S31  1  0.13105700  0.38072400  0.75000000  1
