# generated using pymatgen
data_Li5NiHO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77687200
_cell_length_b   9.03391700
_cell_length_c   10.63851600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5NiHO4
_chemical_formula_sum   'Li40 Ni8 H8 O32'
_cell_volume   843.52296724
_cell_formula_units_Z   8
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  0.97282900  0.58368500  0.19942500  1
  Li  Li1  1  0.97282900  0.91631500  0.19942500  1
  Li  Li2  1  0.07312700  0.06620800  0.42773100  1
  Li  Li3  1  0.07312700  0.43379200  0.42773100  1
  Li  Li4  1  0.07117500  0.75000000  0.43637800  1
  Li  Li5  1  0.12249500  0.25000000  0.97905200  1
  Li  Li6  1  0.11101900  0.56955000  0.99079400  1
  Li  Li7  1  0.11101900  0.93045000  0.99079400  1
  Li  Li8  1  0.20464000  0.58560100  0.63218200  1
  Li  Li9  1  0.20464000  0.91439900  0.63218200  1
  Li  Li10  1  0.29536100  0.08560100  0.13218200  1
  Li  Li11  1  0.29536100  0.41439900  0.13218200  1
  Li  Li12  1  0.38898100  0.06955000  0.49079400  1
  Li  Li13  1  0.38898100  0.43045000  0.49079400  1
  Li  Li14  1  0.37750500  0.75000000  0.47905200  1
  Li  Li15  1  0.42882500  0.25000000  0.93637800  1
  Li  Li16  1  0.42687300  0.56620800  0.92773100  1
  Li  Li17  1  0.42687300  0.93379200  0.92773100  1
  Li  Li18  1  0.52717100  0.08368500  0.69942500  1
  Li  Li19  1  0.52717100  0.41631500  0.69942500  1
  Li  Li20  1  0.47282900  0.58368500  0.30057500  1
  Li  Li21  1  0.47282900  0.91631500  0.30057500  1
  Li  Li22  1  0.57312700  0.06620800  0.07226900  1
  Li  Li23  1  0.57312700  0.43379200  0.07226900  1
  Li  Li24  1  0.57117500  0.75000000  0.06362200  1
  Li  Li25  1  0.62249500  0.25000000  0.52094800  1
  Li  Li26  1  0.61101900  0.56955000  0.50920600  1
  Li  Li27  1  0.61101900  0.93045000  0.50920600  1
  Li  Li28  1  0.70463900  0.58560100  0.86781800  1
  Li  Li29  1  0.70463900  0.91439900  0.86781800  1
  Li  Li30  1  0.79536100  0.08560100  0.36781800  1
  Li  Li31  1  0.79536100  0.41439900  0.36781800  1
  Li  Li32  1  0.88898100  0.06955000  0.00920600  1
  Li  Li33  1  0.88898100  0.43045000  0.00920600  1
  Li  Li34  1  0.87750500  0.75000000  0.02094800  1
  Li  Li35  1  0.92882500  0.25000000  0.56362200  1
  Li  Li36  1  0.92687300  0.93379200  0.57226900  1
  Li  Li37  1  0.92687300  0.56620800  0.57226900  1
  Li  Li38  1  0.02717100  0.08368500  0.80057500  1
  Li  Li39  1  0.02717100  0.41631500  0.80057500  1
  Ni  Ni40  1  0.01222100  0.25000000  0.21083400  1
  Ni  Ni41  1  0.21101300  0.25000000  0.63335800  1
  Ni  Ni42  1  0.28898700  0.75000000  0.13335800  1
  Ni  Ni43  1  0.48777900  0.75000000  0.71083400  1
  Ni  Ni44  1  0.51222100  0.25000000  0.28916600  1
  Ni  Ni45  1  0.71101300  0.25000000  0.86664200  1
  Ni  Ni46  1  0.78898700  0.75000000  0.36664200  1
  Ni  Ni47  1  0.98777900  0.75000000  0.78916600  1
  H  H48  1  0.20668600  0.58591100  0.31277900  1
  H  H49  1  0.20668600  0.91408900  0.31277900  1
  H  H50  1  0.29331400  0.08591100  0.81277900  1
  H  H51  1  0.29331400  0.41408900  0.81277900  1
  H  H52  1  0.70668600  0.58591100  0.18722100  1
  H  H53  1  0.70668600  0.91408900  0.18722100  1
  H  H54  1  0.79331400  0.08591100  0.68722100  1
  H  H55  1  0.79331400  0.41408900  0.68722100  1
  O  O56  1  0.05325200  0.75000000  0.62223500  1
  O  O57  1  0.07557100  0.41628700  0.12059800  1
  O  O58  1  0.07557100  0.08371300  0.12059800  1
  O  O59  1  0.07908700  0.41318200  0.61657800  1
  O  O60  1  0.07908700  0.08681800  0.61657800  1
  O  O61  1  0.08006800  0.75000000  0.10532300  1
  O  O62  1  0.24199700  0.07330800  0.89392300  1
  O  O63  1  0.24199700  0.42669200  0.89392300  1
  O  O64  1  0.25800300  0.57330800  0.39392300  1
  O  O65  1  0.25800300  0.92669200  0.39392300  1
  O  O66  1  0.41993200  0.25000000  0.60532300  1
  O  O67  1  0.42091300  0.58681800  0.11657800  1
  O  O68  1  0.42091300  0.91318200  0.11657800  1
  O  O69  1  0.42442900  0.58371300  0.62059800  1
  O  O70  1  0.42442900  0.91628700  0.62059800  1
  O  O71  1  0.44674800  0.25000000  0.12223500  1
  O  O72  1  0.55325200  0.75000000  0.87776500  1
  O  O73  1  0.57557100  0.08371300  0.37940200  1
  O  O74  1  0.57557100  0.41628700  0.37940200  1
  O  O75  1  0.57908700  0.08681800  0.88342200  1
  O  O76  1  0.57908700  0.41318200  0.88342200  1
  O  O77  1  0.58006800  0.75000000  0.39467700  1
  O  O78  1  0.74199700  0.07330800  0.60607700  1
  O  O79  1  0.74199700  0.42669200  0.60607700  1
  O  O80  1  0.75800300  0.57330800  0.10607700  1
  O  O81  1  0.75800300  0.92669200  0.10607700  1
  O  O82  1  0.91993200  0.25000000  0.89467700  1
  O  O83  1  0.92091300  0.91318200  0.38342200  1
  O  O84  1  0.92091300  0.58681800  0.38342200  1
  O  O85  1  0.92442900  0.91628700  0.87940200  1
  O  O86  1  0.92442900  0.58371300  0.87940200  1
  O  O87  1  0.94674800  0.25000000  0.37776500  1
