# generated using pymatgen
data_LiNiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42731155
_cell_length_b   5.78315770
_cell_length_c   5.93545795
_cell_angle_alpha   90.01479430
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiS2
_chemical_formula_sum   'Li2 Ni2 S4'
_cell_volume   117.64482765
_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
  Li  Li0  1  0.25117875  0.50000000  0.25000000  1
  Li  Li1  1  0.74882125  0.50000000  0.75000000  1
  Ni  Ni2  1  0.74983611  -0.00000000  0.75000000  1
  Ni  Ni3  1  0.25016389  -0.00000000  0.25000000  1
  S  S4  1  0.24985021  0.21098462  0.58338277  1
  S  S5  1  0.75014979  0.21098462  0.08338277  1
  S  S6  1  0.75014979  0.78901538  0.41661723  1
  S  S7  1  0.24985021  0.78901538  0.91661723  1
