# generated using pymatgen
data_LiNi2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.67978655
_cell_length_b   8.67978655
_cell_length_c   8.67978628
_cell_angle_alpha   59.43378097
_cell_angle_beta   59.43378097
_cell_angle_gamma   59.43378230
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi2(SO4)3
_chemical_formula_sum   'Li2 Ni4 S6 O24'
_cell_volume   456.43714436
_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  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni2  1  0.35558100  0.35558100  0.35558100  1
  Ni  Ni3  1  0.14441900  0.14441900  0.14441900  1
  Ni  Ni4  1  0.64441900  0.64441900  0.64441900  1
  Ni  Ni5  1  0.85558100  0.85558100  0.85558100  1
  S  S6  1  0.75000000  0.04442000  0.45558000  1
  S  S7  1  0.95558000  0.54442000  0.25000000  1
  S  S8  1  0.54442000  0.25000000  0.95558000  1
  S  S9  1  0.45558000  0.75000000  0.04442000  1
  S  S10  1  0.04442000  0.45558000  0.75000000  1
  S  S11  1  0.25000000  0.95558000  0.54442000  1
  O  O12  1  0.90754000  0.06316000  0.26649800  1
  O  O13  1  0.73350200  0.09246000  0.93684000  1
  O  O14  1  0.89589600  0.49126100  0.69048500  1
  O  O15  1  0.00873900  0.60410400  0.80951500  1
  O  O16  1  0.59246000  0.23350200  0.43684000  1
  O  O17  1  0.76649800  0.56316000  0.40754000  1
  O  O18  1  0.93684000  0.73350200  0.09246000  1
  O  O19  1  0.19048500  0.99126100  0.39589600  1
  O  O20  1  0.50873900  0.30951500  0.10410400  1
  O  O21  1  0.30951500  0.10410400  0.50873900  1
  O  O22  1  0.39589600  0.19048500  0.99126100  1
  O  O23  1  0.56316000  0.40754000  0.76649800  1
  O  O24  1  0.43684000  0.59246000  0.23350200  1
  O  O25  1  0.69048500  0.89589600  0.49126100  1
  O  O26  1  0.60410400  0.80951500  0.00873900  1
  O  O27  1  0.80951500  0.00873900  0.60410400  1
  O  O28  1  0.49126100  0.69048500  0.89589600  1
  O  O29  1  0.06316000  0.26649800  0.90754000  1
  O  O30  1  0.23350200  0.43684000  0.59246000  1
  O  O31  1  0.40754000  0.76649800  0.56316000  1
  O  O32  1  0.10410400  0.50873900  0.30951500  1
  O  O33  1  0.99126100  0.39589600  0.19048500  1
  O  O34  1  0.26649800  0.90754000  0.06316000  1
  O  O35  1  0.09246000  0.93684000  0.73350200  1
