# generated using pymatgen
data_Li2NiH12(SO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.84040100
_cell_length_b   5.85036600
_cell_length_c   8.60100614
_cell_angle_alpha   78.88007922
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiH12(SO7)2
_chemical_formula_sum   'Li4 Ni2 H24 S4 O28'
_cell_volume   584.61183869
_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  0.37852600  0.65442000  0.16409400  1
  Li  Li1  1  0.87852600  0.34558000  0.33590600  1
  Li  Li2  1  0.12147400  0.65442000  0.66409400  1
  Li  Li3  1  0.62147400  0.34558000  0.83590600  1
  Ni  Ni4  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni5  1  0.50000000  0.00000000  0.50000000  1
  H  H6  1  0.80555100  0.02915700  0.13986600  1
  H  H7  1  0.84843500  0.65187200  0.03276000  1
  H  H8  1  0.06006200  0.34880600  0.10674000  1
  H  H9  1  0.39416600  0.07509000  0.22813100  1
  H  H10  1  0.62966500  0.08855400  0.24546500  1
  H  H11  1  0.08712800  0.67647600  0.21297300  1
  H  H12  1  0.58712800  0.32352400  0.28702700  1
  H  H13  1  0.12966500  0.91144600  0.25453500  1
  H  H14  1  0.89416600  0.92491000  0.27186900  1
  H  H15  1  0.56006200  0.65119400  0.39326000  1
  H  H16  1  0.34843500  0.34812800  0.46724000  1
  H  H17  1  0.30555100  0.97084300  0.36013400  1
  H  H18  1  0.69444900  0.02915700  0.63986600  1
  H  H19  1  0.65156500  0.65187200  0.53276000  1
  H  H20  1  0.43993800  0.34880600  0.60674000  1
  H  H21  1  0.10583400  0.07509000  0.72813100  1
  H  H22  1  0.87033500  0.08855400  0.74546500  1
  H  H23  1  0.41287200  0.67647600  0.71297300  1
  H  H24  1  0.91287200  0.32352400  0.78702700  1
  H  H25  1  0.37033500  0.91144600  0.75453500  1
  H  H26  1  0.60583400  0.92491000  0.77186900  1
  H  H27  1  0.93993800  0.65119400  0.89326000  1
  H  H28  1  0.15156500  0.34812800  0.96724000  1
  H  H29  1  0.19444900  0.97084300  0.86013400  1
  S  S30  1  0.63274200  0.71907700  0.07729900  1
  S  S31  1  0.13274200  0.28092300  0.42270100  1
  S  S32  1  0.86725800  0.71907700  0.57729900  1
  S  S33  1  0.36725800  0.28092300  0.92270100  1
  O  O34  1  0.40821300  0.30263400  0.08278000  1
  O  O35  1  0.92796800  0.69103000  0.99844200  1
  O  O36  1  0.88099200  0.05963400  0.18191900  1
  O  O37  1  0.73162200  0.56393800  0.12201800  1
  O  O38  1  0.66241300  0.96761200  0.07888400  1
  O  O39  1  0.11504200  0.83213700  0.16448500  1
  O  O40  1  0.54089300  0.64128200  0.19630900  1
  O  O41  1  0.04089300  0.35871800  0.30369100  1
  O  O42  1  0.61504200  0.16786300  0.33551500  1
  O  O43  1  0.16241300  0.03238800  0.42111600  1
  O  O44  1  0.23162200  0.43606200  0.37798200  1
  O  O45  1  0.38099200  0.94036600  0.31808100  1
  O  O46  1  0.42796800  0.30897000  0.50155800  1
  O  O47  1  0.90821300  0.69736600  0.41722000  1
  O  O48  1  0.09178700  0.30263400  0.58278000  1
  O  O49  1  0.57203200  0.69103000  0.49844200  1
  O  O50  1  0.61900800  0.05963400  0.68191900  1
  O  O51  1  0.76837800  0.56393800  0.62201800  1
  O  O52  1  0.83758700  0.96761200  0.57888400  1
  O  O53  1  0.38495800  0.83213700  0.66448500  1
  O  O54  1  0.95910700  0.64128200  0.69630900  1
  O  O55  1  0.45910700  0.35871800  0.80369100  1
  O  O56  1  0.88495800  0.16786300  0.83551500  1
  O  O57  1  0.33758700  0.03238800  0.92111600  1
  O  O58  1  0.26837800  0.43606200  0.87798200  1
  O  O59  1  0.11900800  0.94036600  0.81808100  1
  O  O60  1  0.07203200  0.30897000  0.00155800  1
  O  O61  1  0.59178700  0.69736600  0.91722000  1
