# generated using pymatgen
data_Li2Ni2H24C6(N4O5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97438315
_cell_length_b   9.64879645
_cell_length_c   11.56905697
_cell_angle_alpha   92.07232527
_cell_angle_beta   89.72209801
_cell_angle_gamma   89.86396761
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ni2H24C6(N4O5)3
_chemical_formula_sum   'Li2 Ni2 H24 C6 N12 O15'
_cell_volume   554.90633675
_cell_formula_units_Z   1
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  0.23692400  0.20349800  0.80969200  1
  Li  Li1  1  0.74132200  0.79634000  0.18904900  1
  Ni  Ni2  1  0.72180400  0.73619700  0.67053100  1
  Ni  Ni3  1  0.21872800  0.26592100  0.32911300  1
  H  H4  1  0.80028400  0.33674100  0.69620100  1
  H  H5  1  0.29701800  0.66272700  0.30478900  1
  H  H6  1  0.93489200  0.50302300  0.55966900  1
  H  H7  1  0.44647800  0.49349100  0.43775300  1
  H  H8  1  0.87231500  0.93760400  0.95805800  1
  H  H9  1  0.37010900  0.06727600  0.04169500  1
  H  H10  1  0.18271300  0.80129600  0.55384900  1
  H  H11  1  0.68025700  0.19810400  0.44233400  1
  H  H12  1  0.08426200  0.54021800  0.68508300  1
  H  H13  1  0.57629400  0.46172100  0.30716500  1
  H  H14  1  0.88473700  0.70974900  0.89012000  1
  H  H15  1  0.39591600  0.29805900  0.11599700  1
  H  H16  1  0.96620300  0.92988600  0.40331200  1
  H  H17  1  0.46352300  0.07046400  0.59531400  1
  H  H18  1  0.03641900  0.94300400  0.61351100  1
  H  H19  1  0.53056000  0.05698400  0.38530800  1
  H  H20  1  0.78249600  0.17947400  0.90842100  1
  H  H21  1  0.29146800  0.82183900  0.09036600  1
  H  H22  1  0.91363100  0.32086400  0.95084700  1
  H  H23  1  0.40994800  0.67263600  0.06401900  1
  H  H24  1  0.12965500  0.78481900  0.81756300  1
  H  H25  1  0.63054900  0.21065600  0.18633900  1
  H  H26  1  0.38301300  0.45501800  0.94554800  1
  H  H27  1  0.59988700  0.49274000  0.04283400  1
  C  C28  1  0.50852000  0.48304800  0.75370200  1
  C  C29  1  0.00692100  0.51923100  0.24516900  1
  C  C30  1  0.61544900  0.97266500  0.82069800  1
  C  C31  1  0.11111100  0.03128500  0.17852400  1
  C  C32  1  0.63695100  0.80574200  0.43703500  1
  C  C33  1  0.13458300  0.19643800  0.56384200  1
  N  N34  1  0.87020700  0.87482100  0.46527500  1
  N  N35  1  0.36985700  0.12844600  0.53504900  1
  N  N36  1  0.73503900  0.43810200  0.69664600  1
  N  N37  1  0.22150000  0.56426700  0.31134000  1
  N  N38  1  0.83267300  0.91312200  0.87268500  1
  N  N39  1  0.32622500  0.09250700  0.12637700  1
  N  N40  1  0.99978800  0.84972700  0.57083500  1
  N  N41  1  0.49633200  0.15087100  0.42788300  1
  N  N42  1  0.92515800  0.78245400  0.83002300  1
  N  N43  1  0.42758200  0.21910200  0.17236400  1
  N  N44  1  0.90123800  0.53620100  0.64379800  1
  N  N45  1  0.39959600  0.46382400  0.35433200  1
  O  O46  1  0.51989500  0.08344700  0.87017400  1
  O  O47  1  0.01308700  0.92327200  0.12628300  1
  O  O48  1  0.95735300  0.22535500  0.92940700  1
  O  O49  1  0.46108700  0.77114400  0.07129200  1
  O  O50  1  0.52593200  0.91910000  0.72526100  1
  O  O51  1  0.02497400  0.08117600  0.27647400  1
  O  O52  1  0.37124500  0.39390300  0.80831300  1
  O  O53  1  0.87479400  0.60771100  0.18999800  1
  O  O54  1  0.44170500  0.61186200  0.75049500  1
  O  O55  1  0.94337400  0.38934800  0.24755300  1
  O  O56  1  0.53763800  0.82568900  0.33778700  1
  O  O57  1  0.03568500  0.17630800  0.66418800  1
  O  O58  1  0.52882800  0.72850700  0.51358900  1
  O  O59  1  0.02464300  0.27368100  0.48871100  1
  O  O60  1  0.40718600  0.48089700  0.02961800  1
