# generated using pymatgen
data_Li3NbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92981156
_cell_length_b   8.92981591
_cell_length_c   8.92981413
_cell_angle_alpha   109.47147246
_cell_angle_beta   109.47142534
_cell_angle_gamma   109.47149077
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NbS4
_chemical_formula_sum   'Li12 Nb4 S16'
_cell_volume   548.15254367
_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  -0.00000152  0.49925818  0.23762650  1
  Li  Li1  1  0.49925806  -0.00000150  0.23762652  1
  Li  Li2  1  0.76238090  0.26164261  0.76238096  1
  Li  Li3  1  0.73835877  0.50073580  0.50073578  1
  Li  Li4  1  0.76238165  0.76238108  0.26164274  1
  Li  Li5  1  0.23762658  0.49925823  -0.00000158  1
  Li  Li6  1  0.50073574  0.50073571  0.73835875  1
  Li  Li7  1  0.49925792  0.23762666  -0.00000170  1
  Li  Li8  1  -0.00000149  0.23762661  0.49925810  1
  Li  Li9  1  0.50073596  0.73835901  0.50073585  1
  Li  Li10  1  0.23762685  -0.00000113  0.49925818  1
  Li  Li11  1  0.26164253  0.76238086  0.76238085  1
  Nb  Nb12  1  0.71797766  0.00000263  0.00000252  1
  Nb  Nb13  1  0.28202397  0.28202442  0.28202406  1
  Nb  Nb14  1  0.00000234  0.71797887  0.00000287  1
  Nb  Nb15  1  0.00000170  -0.00000081  0.71797631  1
  S  S16  1  0.75819736  0.24414738  0.24414710  1
  S  S17  1  0.75585195  0.51405296  0.00000001  1
  S  S18  1  0.22906871  0.00000002  -0.00000017  1
  S  S19  1  -0.00000043  0.22906720  -0.00000044  1
  S  S20  1  -0.00000037  -0.00000022  0.22906875  1
  S  S21  1  0.48594626  0.48594658  0.24179845  1
  S  S22  1  0.48594622  0.24179844  0.48594628  1
  S  S23  1  0.51405315  0.00000007  0.75585185  1
  S  S24  1  0.00000051  0.51405520  0.75585212  1
  S  S25  1  0.24179848  0.48594651  0.48594616  1
  S  S26  1  0.24414729  0.75819762  0.24414724  1
  S  S27  1  0.75585189  0.00000024  0.51405490  1
  S  S28  1  0.24414632  0.24414646  0.75819716  1
  S  S29  1  0.77093185  0.77093156  0.77093171  1
  S  S30  1  0.51405315  0.75585192  -0.00000013  1
  S  S31  1  0.00000006  0.75585084  0.51405232  1
