# generated using pymatgen
data_Li2NiCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.12492946
_cell_length_b   8.12550429
_cell_length_c   8.71029995
_cell_angle_alpha   86.85244925
_cell_angle_beta   86.85420347
_cell_angle_gamma   104.21696074
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiCSO7
_chemical_formula_sum   'Li8 Ni4 C4 S4 O28'
_cell_volume   555.20356136
_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  0.36708400  0.84964600  0.19184300  1
  Li  Li1  1  0.86709400  0.34966900  0.19179700  1
  Li  Li2  1  0.59968000  0.61714200  0.19179500  1
  Li  Li3  1  0.09969900  0.11714600  0.19185900  1
  Li  Li4  1  0.63294500  0.15030000  0.80811700  1
  Li  Li5  1  0.13285900  0.65027300  0.80796800  1
  Li  Li6  1  0.40026900  0.38285200  0.80807900  1
  Li  Li7  1  0.90031600  0.88281700  0.80802800  1
  Ni  Ni8  1  0.26385000  0.51373400  0.35025600  1
  Ni  Ni9  1  0.73619500  0.48627100  0.64966200  1
  Ni  Ni10  1  0.76376500  0.01375400  0.35040800  1
  Ni  Ni11  1  0.23623800  0.98631000  0.64967700  1
  C  C12  1  0.74062500  0.99061000  0.06751400  1
  C  C13  1  0.24052600  0.49054700  0.06748100  1
  C  C14  1  0.25946400  0.00942800  0.93250000  1
  C  C15  1  0.75948000  0.50942700  0.93245200  1
  S  S16  1  0.49408900  0.24409400  0.41671500  1
  S  S17  1  0.99416000  0.74409100  0.41668700  1
  S  S18  1  0.50578900  0.75579600  0.58330700  1
  S  S19  1  0.00585100  0.25591500  0.58339100  1
  O  O20  1  0.27219500  0.02217200  0.07656000  1
  O  O21  1  0.77222500  0.52221300  0.07651800  1
  O  O22  1  0.72783100  0.97778100  0.92348200  1
  O  O23  1  0.22772500  0.47777100  0.92345700  1
  O  O24  1  0.85857500  0.10865700  0.12329700  1
  O  O25  1  0.35854700  0.60853800  0.12326100  1
  O  O26  1  0.14149400  0.89146400  0.87667000  1
  O  O27  1  0.64147600  0.39147300  0.87669400  1
  O  O28  1  0.63662500  0.88661500  0.17201500  1
  O  O29  1  0.13653900  0.38654100  0.17202500  1
  O  O30  1  0.36353000  0.11351000  0.82801800  1
  O  O31  1  0.86347200  0.61346800  0.82795200  1
  O  O32  1  0.45465400  0.70465000  0.42789500  1
  O  O33  1  0.95469600  0.20463600  0.42799600  1
  O  O34  1  0.54529500  0.29529800  0.57211700  1
  O  O35  1  0.04534700  0.79532500  0.57209700  1
  O  O36  1  0.34396600  0.09397300  0.43786000  1
  O  O37  1  0.84409800  0.59395400  0.43801100  1
  O  O38  1  0.65587600  0.90585300  0.56217100  1
  O  O39  1  0.15592700  0.40610600  0.56197600  1
  O  O40  1  0.45077100  0.38565400  0.32587800  1
  O  O41  1  0.95076200  0.88565800  0.32589500  1
  O  O42  1  0.63567900  0.20077300  0.32587100  1
  O  O43  1  0.13566800  0.70077100  0.32573200  1
  O  O44  1  0.36426300  0.79920000  0.67413600  1
  O  O45  1  0.86426700  0.29921700  0.67422400  1
  O  O46  1  0.54915300  0.61427200  0.67418100  1
  O  O47  1  0.04936700  0.11463300  0.67447500  1
