# generated using pymatgen
data_Li4Ni2C4SO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.66290362
_cell_length_b   9.58966464
_cell_length_c   9.27853995
_cell_angle_alpha   61.58499187
_cell_angle_beta   60.79243977
_cell_angle_gamma   57.62256836
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ni2C4SO16
_chemical_formula_sum   'Li8 Ni4 C8 S2 O32'
_cell_volume   606.36473657
_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  0.45940400  0.04059600  0.45940400  1.0
  Li  Li1  1  0.04215600  0.45784400  0.45784400  1.0
  Li  Li2  1  0.79215600  0.20784400  0.20784400  1.0
  Li  Li3  1  0.20940400  0.79059600  0.20940400  1.0
  Li  Li4  1  0.04059600  0.45940400  0.04059600  1.0
  Li  Li5  1  0.45784400  0.04215600  0.04215600  1.0
  Li  Li6  1  0.20784400  0.79215600  0.79215600  1.0
  Li  Li7  1  0.79059600  0.20940400  0.79059600  1.0
  Ni  Ni8  1  0.62500000  0.62500000  0.62500000  1.0
  Ni  Ni9  1  0.62500000  0.62500000  0.12500000  1.0
  Ni  Ni10  1  0.62500000  0.12500000  0.62500000  1.0
  Ni  Ni11  1  0.12500000  0.62500000  0.62500000  1.0
  C  C12  1  0.41353000  0.40975400  0.39393100  1.0
  C  C13  1  0.84024600  0.83647000  0.46721600  1.0
  C  C14  1  0.39393100  0.78278400  0.41353000  1.0
  C  C15  1  0.78278400  0.39393100  0.40975400  1.0
  C  C16  1  0.46721600  0.85606900  0.84024600  1.0
  C  C17  1  0.85606900  0.46721600  0.83647000  1.0
  C  C18  1  0.40975400  0.41353000  0.78278400  1.0
  C  C19  1  0.83647000  0.84024600  0.85606900  1.0
  S  S20  1  0.00000000  0.00000000  0.00000000  1.0
  S  S21  1  0.25000000  0.25000000  0.25000000  1.0
  O  O22  1  0.43059500  0.26619000  0.51499500  1.0
  O  O23  1  0.80639100  0.07777900  0.05840100  1.0
  O  O24  1  0.54597100  0.42043800  0.26059700  1.0
  O  O25  1  0.82956200  0.70402900  0.47700700  1.0
  O  O26  1  0.26059700  0.77299300  0.54597100  1.0
  O  O27  1  0.71041100  0.98419600  0.45830500  1.0
  O  O28  1  0.05840100  0.05742900  0.80639100  1.0
  O  O29  1  0.07777900  0.80639100  0.05742900  1.0
  O  O30  1  0.84708700  0.45830500  0.98419600  1.0
  O  O31  1  0.77299300  0.26059700  0.42043800  1.0
  O  O32  1  0.98381000  0.81940500  0.46178000  1.0
  O  O33  1  0.05742900  0.05840100  0.07777900  1.0
  O  O34  1  0.51499500  0.78822000  0.43059500  1.0
  O  O35  1  0.78822000  0.51499500  0.26619000  1.0
  O  O36  1  0.26580400  0.53958900  0.40291300  1.0
  O  O37  1  0.45830500  0.84708700  0.71041100  1.0
  O  O38  1  0.79169500  0.40291300  0.53958900  1.0
  O  O39  1  0.98419600  0.71041100  0.84708700  1.0
  O  O40  1  0.46178000  0.73500500  0.98381000  1.0
  O  O41  1  0.73500500  0.46178000  0.81940500  1.0
  O  O42  1  0.19257100  0.19159900  0.17222100  1.0
  O  O43  1  0.26619000  0.43059500  0.78822000  1.0
  O  O44  1  0.47700700  0.98940300  0.82956200  1.0
  O  O45  1  0.40291300  0.79169500  0.26580400  1.0
  O  O46  1  0.17222100  0.44360900  0.19257100  1.0
  O  O47  1  0.19159900  0.19257100  0.44360900  1.0
  O  O48  1  0.53958900  0.26580400  0.79169500  1.0
  O  O49  1  0.98940300  0.47700700  0.70402900  1.0
  O  O50  1  0.42043800  0.54597100  0.77299300  1.0
  O  O51  1  0.70402900  0.82956200  0.98940300  1.0
  O  O52  1  0.44360900  0.17222100  0.19159900  1.0
  O  O53  1  0.81940500  0.98381000  0.73500500  1.0