# generated using pymatgen
data_Li6Ni2C4SO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.31641044
_cell_length_b   9.31641044
_cell_length_c   9.31641044
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Ni2C4SO16
_chemical_formula_sum   'Li12 Ni4 C8 S2 O32'
_cell_volume   571.78247820
_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  0.53077500  0.96922500  0.96922500  1
  Li  Li1  1  0.53077500  0.53077500  0.96922500  1
  Li  Li2  1  0.96922500  0.53077500  0.96922500  1
  Li  Li3  1  0.53077500  0.96922500  0.53077500  1
  Li  Li4  1  0.28077500  0.28077500  0.71922500  1
  Li  Li5  1  0.28077500  0.71922500  0.71922500  1
  Li  Li6  1  0.96922500  0.53077500  0.53077500  1
  Li  Li7  1  0.96922500  0.96922500  0.53077500  1
  Li  Li8  1  0.71922500  0.28077500  0.71922500  1
  Li  Li9  1  0.28077500  0.71922500  0.28077500  1
  Li  Li10  1  0.71922500  0.28077500  0.28077500  1
  Li  Li11  1  0.71922500  0.71922500  0.28077500  1
  Ni  Ni12  1  0.62500000  0.12500000  0.12500000  1
  Ni  Ni13  1  0.12500000  0.62500000  0.12500000  1
  Ni  Ni14  1  0.12500000  0.12500000  0.12500000  1
  Ni  Ni15  1  0.12500000  0.12500000  0.62500000  1
  C  C16  1  0.34821300  0.34821300  0.95536000  1
  C  C17  1  0.34821300  0.95536000  0.34821300  1
  C  C18  1  0.34821300  0.34821300  0.34821300  1
  C  C19  1  0.95536000  0.34821300  0.34821300  1
  C  C20  1  0.29464000  0.90178700  0.90178700  1
  C  C21  1  0.90178700  0.90178700  0.90178700  1
  C  C22  1  0.90178700  0.29464000  0.90178700  1
  C  C23  1  0.90178700  0.90178700  0.29464000  1
  S  S24  1  0.50000000  0.50000000  0.50000000  1
  S  S25  1  0.75000000  0.75000000  0.75000000  1
  O  O26  1  0.56555200  0.56555200  0.30334300  1
  O  O27  1  0.56555200  0.56555200  0.56555200  1
  O  O28  1  0.56555200  0.30334300  0.56555200  1
  O  O29  1  0.30334300  0.56555200  0.56555200  1
  O  O30  1  0.49299300  0.21493500  0.95425300  1
  O  O31  1  0.33781900  0.49299300  0.95425300  1
  O  O32  1  0.49299300  0.33781900  0.21493500  1
  O  O33  1  0.21493500  0.33781900  0.95425300  1
  O  O34  1  0.49299300  0.95425300  0.33781900  1
  O  O35  1  0.33781900  0.95425300  0.21493500  1
  O  O36  1  0.21493500  0.49299300  0.33781900  1
  O  O37  1  0.33781900  0.21493500  0.49299300  1
  O  O38  1  0.95425300  0.49299300  0.21493500  1
  O  O39  1  0.21493500  0.95425300  0.49299300  1
  O  O40  1  0.95425300  0.21493500  0.33781900  1
  O  O41  1  0.29574700  0.91218100  0.75700700  1
  O  O42  1  0.95425300  0.33781900  0.49299300  1
  O  O43  1  0.29574700  0.03506500  0.91218100  1
  O  O44  1  0.03506500  0.29574700  0.75700700  1
  O  O45  1  0.29574700  0.75700700  0.03506500  1
  O  O46  1  0.91218100  0.03506500  0.75700700  1
  O  O47  1  0.03506500  0.75700700  0.91218100  1
  O  O48  1  0.91218100  0.29574700  0.03506500  1
  O  O49  1  0.75700700  0.29574700  0.91218100  1
  O  O50  1  0.03506500  0.91218100  0.29574700  1
  O  O51  1  0.75700700  0.91218100  0.03506500  1
  O  O52  1  0.91218100  0.75700700  0.29574700  1
  O  O53  1  0.75700700  0.03506500  0.29574700  1
  O  O54  1  0.94665700  0.68444800  0.68444800  1
  O  O55  1  0.68444800  0.94665700  0.68444800  1
  O  O56  1  0.68444800  0.68444800  0.68444800  1
  O  O57  1  0.68444800  0.68444800  0.94665700  1
