# generated using pymatgen
data_Li3Cr3(NiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22655800
_cell_length_b   8.78228900
_cell_length_c   15.01561937
_cell_angle_alpha   55.60827967
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Cr3(NiO6)2
_chemical_formula_sum   'Li12 Cr12 Ni8 O48'
_cell_volume   1004.03152324
_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  0.91243700  0.38044300  0.69780200  1
  Li  Li1  1  0.49029000  0.71916500  0.34154400  1
  Li  Li2  1  0.22959800  0.98751900  0.17894000  1
  Li  Li3  1  0.72959800  0.01248100  0.32106000  1
  Li  Li4  1  0.41243700  0.61955700  0.80219800  1
  Li  Li5  1  0.99029000  0.28083500  0.15845600  1
  Li  Li6  1  0.00971000  0.71916500  0.84154400  1
  Li  Li7  1  0.58756300  0.38044300  0.19780200  1
  Li  Li8  1  0.27040200  0.98751900  0.67894000  1
  Li  Li9  1  0.77040200  0.01248100  0.82106000  1
  Li  Li10  1  0.50971000  0.28083500  0.65845600  1
  Li  Li11  1  0.08756300  0.61955700  0.30219800  1
  Cr  Cr12  1  0.75215300  0.54971100  0.49141200  1
  Cr  Cr13  1  0.61781000  0.26491700  0.85214900  1
  Cr  Cr14  1  0.88714900  0.97113500  0.14510600  1
  Cr  Cr15  1  0.11781000  0.73508300  0.64785100  1
  Cr  Cr16  1  0.38714900  0.02886500  0.35489400  1
  Cr  Cr17  1  0.25215300  0.45028900  0.00858800  1
  Cr  Cr18  1  0.74784700  0.54971100  0.99141200  1
  Cr  Cr19  1  0.61285100  0.97113500  0.64510600  1
  Cr  Cr20  1  0.88219000  0.26491700  0.35214900  1
  Cr  Cr21  1  0.11285100  0.02886500  0.85489400  1
  Cr  Cr22  1  0.38219000  0.73508300  0.14785100  1
  Cr  Cr23  1  0.24784700  0.45028900  0.50858800  1
  Ni  Ni24  1  0.96945700  0.35706600  0.88695600  1
  Ni  Ni25  1  0.46945700  0.64293400  0.61304400  1
  Ni  Ni26  1  0.03172400  0.88010500  0.38217700  1
  Ni  Ni27  1  0.53172400  0.11989500  0.11782300  1
  Ni  Ni28  1  0.46827600  0.88010500  0.88217700  1
  Ni  Ni29  1  0.96827600  0.11989500  0.61782300  1
  Ni  Ni30  1  0.53054300  0.35706600  0.38695600  1
  Ni  Ni31  1  0.03054300  0.64293400  0.11304400  1
  O  O32  1  0.12237900  0.61318500  0.44376600  1
  O  O33  1  0.11669100  0.14974900  0.90676500  1
  O  O34  1  0.33430400  0.45354700  0.60509400  1
  O  O35  1  0.42268700  0.87850600  0.19407000  1
  O  O36  1  0.63292000  0.51196700  0.58551600  1
  O  O37  1  0.80595000  0.28044800  0.83258600  1
  O  O38  1  0.58548300  0.14724400  0.98312000  1
  O  O39  1  0.01149000  0.87634300  0.24542200  1
  O  O40  1  0.72616100  0.97966400  0.19361200  1
  O  O41  1  0.82409300  0.75885300  0.43477000  1
  O  O42  1  0.52844200  0.47095500  0.77218700  1
  O  O43  1  0.02844200  0.52904500  0.72781300  1
  O  O44  1  0.94323200  0.18811100  0.05560000  1
  O  O45  1  0.44323200  0.81188900  0.44440000  1
  O  O46  1  0.32409300  0.24114700  0.06523000  1
  O  O47  1  0.22616100  0.02033600  0.30638800  1
  O  O48  1  0.08548300  0.85275600  0.51688000  1
  O  O49  1  0.51149000  0.12365700  0.25457800  1
  O  O50  1  0.30595000  0.71955200  0.66741400  1
  O  O51  1  0.13292000  0.48803300  0.91448400  1
  O  O52  1  0.83430400  0.54645300  0.89490600  1
  O  O53  1  0.61669100  0.85025100  0.59323500  1
  O  O54  1  0.92268700  0.12149400  0.30593000  1
  O  O55  1  0.62237900  0.38681500  0.05623400  1
  O  O56  1  0.37762100  0.61318500  0.94376600  1
  O  O57  1  0.07731300  0.87850600  0.69407000  1
  O  O58  1  0.38330900  0.14974900  0.40676500  1
  O  O59  1  0.16569600  0.45354700  0.10509400  1
  O  O60  1  0.86708000  0.51196700  0.08551600  1
  O  O61  1  0.69405000  0.28044800  0.33258600  1
  O  O62  1  0.48851000  0.87634300  0.74542200  1
  O  O63  1  0.91451700  0.14724400  0.48312000  1
  O  O64  1  0.77383900  0.97966400  0.69361200  1
  O  O65  1  0.67590700  0.75885300  0.93477000  1
  O  O66  1  0.55676800  0.18811100  0.55560000  1
  O  O67  1  0.05676800  0.81188900  0.94440000  1
  O  O68  1  0.97155800  0.47095500  0.27218700  1
  O  O69  1  0.47155800  0.52904500  0.22781300  1
  O  O70  1  0.17590700  0.24114700  0.56523000  1
  O  O71  1  0.27383900  0.02033600  0.80638800  1
  O  O72  1  0.98851000  0.12365700  0.75457800  1
  O  O73  1  0.41451700  0.85275600  0.01688000  1
  O  O74  1  0.19405000  0.71955200  0.16741400  1
  O  O75  1  0.36708000  0.48803300  0.41448400  1
  O  O76  1  0.57731300  0.12149400  0.80593000  1
  O  O77  1  0.66569600  0.54645300  0.39490600  1
  O  O78  1  0.88330900  0.85025100  0.09323500  1
  O  O79  1  0.87762100  0.38681500  0.55623400  1
