# generated using pymatgen
data_LiNiH12(SO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.52373500
_cell_length_b   5.89845400
_cell_length_c   8.70726622
_cell_angle_alpha   76.19099015
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiH12(SO7)2
_chemical_formula_sum   'Li2 Ni2 H24 S4 O28'
_cell_volume   574.74577430
_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  0.12416200  0.65328900  0.38515300  1
  Li  Li1  1  0.62416200  0.34671100  0.61484700  1
  Ni  Ni2  1  0.00107600  0.99750500  0.75035700  1
  Ni  Ni3  1  0.50107600  0.00249500  0.24964300  1
  H  H4  1  0.80793800  0.01621900  0.87794100  1
  H  H5  1  0.85490100  0.66974300  0.78314300  1
  H  H6  1  0.05816500  0.31608300  0.86574200  1
  H  H7  1  0.40031400  0.06566900  0.98092100  1
  H  H8  1  0.62691800  0.08939700  0.99246300  1
  H  H9  1  0.09185000  0.67216600  0.96395500  1
  H  H10  1  0.59185000  0.32783400  0.03604500  1
  H  H11  1  0.12691800  0.91060300  0.00753700  1
  H  H12  1  0.90031400  0.93433100  0.01907900  1
  H  H13  1  0.55816500  0.68391700  0.13425800  1
  H  H14  1  0.35490100  0.33025700  0.21685700  1
  H  H15  1  0.30793800  0.98378100  0.12205900  1
  H  H16  1  0.69426800  0.01932100  0.38620200  1
  H  H17  1  0.64659700  0.67498800  0.28431500  1
  H  H18  1  0.44788300  0.31896400  0.36327800  1
  H  H19  1  0.09743300  0.07830300  0.48038300  1
  H  H20  1  0.87142400  0.09019800  0.49641500  1
  H  H21  1  0.41593600  0.67437900  0.46363300  1
  H  H22  1  0.91593600  0.32562100  0.53636700  1
  H  H23  1  0.37142400  0.90980200  0.50358500  1
  H  H24  1  0.59743300  0.92169700  0.51961700  1
  H  H25  1  0.94788300  0.68103600  0.63672200  1
  H  H26  1  0.14659700  0.32501200  0.71568500  1
  H  H27  1  0.19426800  0.98067900  0.61379800  1
  S  S28  1  0.63440700  0.72640600  0.82436800  1
  S  S29  1  0.13440700  0.27359400  0.17563200  1
  S  S30  1  0.86570900  0.72686800  0.34141000  1
  S  S31  1  0.36570900  0.27313200  0.65859000  1
  O  O32  1  0.42067900  0.24704900  0.81365400  1
  O  O33  1  0.94023300  0.70872100  0.74653600  1
  O  O34  1  0.88899500  0.04117400  0.91121500  1
  O  O35  1  0.73867200  0.57605900  0.82365700  1
  O  O36  1  0.66948900  0.97087400  0.82998400  1
  O  O37  1  0.11601800  0.83672400  0.91754000  1
  O  O38  1  0.56308700  0.62126300  0.96567700  1
  O  O39  1  0.06308700  0.37873700  0.03432300  1
  O  O40  1  0.61601800  0.16327600  0.08246000  1
  O  O41  1  0.16948900  0.02912600  0.17001600  1
  O  O42  1  0.23867200  0.42394100  0.17634300  1
  O  O43  1  0.38899500  0.95882600  0.08878500  1
  O  O44  1  0.44023300  0.29127900  0.25346400  1
  O  O45  1  0.92067900  0.75295100  0.18634600  1
  O  O46  1  0.06787300  0.26682300  0.32244300  1
  O  O47  1  0.56386500  0.71215700  0.24447600  1
  O  O48  1  0.61206900  0.04542900  0.41840700  1
  O  O49  1  0.76372200  0.56699200  0.36527500  1
  O  O50  1  0.82843500  0.95697200  0.36749900  1
  O  O51  1  0.38508200  0.83194500  0.41432200  1
  O  O52  1  0.95698000  0.62325900  0.46483400  1
  O  O53  1  0.45698000  0.37674100  0.53516600  1
  O  O54  1  0.88508200  0.16805500  0.58567800  1
  O  O55  1  0.32843500  0.04302800  0.63250100  1
  O  O56  1  0.26372200  0.43300800  0.63472500  1
  O  O57  1  0.11206900  0.95457100  0.58159300  1
  O  O58  1  0.06386500  0.28784300  0.75552400  1
  O  O59  1  0.56787300  0.73317700  0.67755700  1
