# generated using pymatgen
data_Li2Cr3(NiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.09328400
_cell_length_b   9.10285500
_cell_length_c   12.57156100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Cr3(NiO6)2
_chemical_formula_sum   'Li8 Cr12 Ni8 O48'
_cell_volume   1040.60902231
_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  0.27164500  0.22029600  0.18712700  1
  Li  Li1  1  0.77164500  0.77970400  0.18712700  1
  Li  Li2  1  0.77164500  0.27970400  0.31287300  1
  Li  Li3  1  0.27164500  0.72029600  0.31287300  1
  Li  Li4  1  0.72835500  0.27970400  0.68712700  1
  Li  Li5  1  0.22835500  0.72029600  0.68712700  1
  Li  Li6  1  0.22835500  0.22029600  0.81287300  1
  Li  Li7  1  0.72835500  0.77970400  0.81287300  1
  Cr  Cr8  1  0.25000000  0.46229200  0.00000000  1
  Cr  Cr9  1  0.75000000  0.53770800  0.00000000  1
  Cr  Cr10  1  0.60561800  0.10069500  0.14350800  1
  Cr  Cr11  1  0.10561800  0.89930500  0.14350800  1
  Cr  Cr12  1  0.10561800  0.39930500  0.35649200  1
  Cr  Cr13  1  0.60561800  0.60069500  0.35649200  1
  Cr  Cr14  1  0.75000000  0.03770800  0.50000000  1
  Cr  Cr15  1  0.25000000  0.96229200  0.50000000  1
  Cr  Cr16  1  0.39438200  0.39930500  0.64350800  1
  Cr  Cr17  1  0.89438200  0.60069500  0.64350800  1
  Cr  Cr18  1  0.89438200  0.10069500  0.85649200  1
  Cr  Cr19  1  0.39438200  0.89930500  0.85649200  1
  Ni  Ni20  1  0.96754400  0.25283000  0.11903200  1
  Ni  Ni21  1  0.46754400  0.74717000  0.11903200  1
  Ni  Ni22  1  0.46754400  0.24717000  0.38096800  1
  Ni  Ni23  1  0.96754400  0.75283000  0.38096800  1
  Ni  Ni24  1  0.03245600  0.24717000  0.61903200  1
  Ni  Ni25  1  0.53245600  0.75283000  0.61903200  1
  Ni  Ni26  1  0.53245600  0.25283000  0.88096800  1
  Ni  Ni27  1  0.03245600  0.74717000  0.88096800  1
  O  O28  1  0.56722200  0.14365000  0.02036500  1
  O  O29  1  0.06722200  0.85635000  0.02036500  1
  O  O30  1  0.36834700  0.56432500  0.06488000  1
  O  O31  1  0.86834700  0.43567500  0.06488000  1
  O  O32  1  0.16448100  0.35338500  0.08874900  1
  O  O33  1  0.66448100  0.64661500  0.08874900  1
  O  O34  1  0.10675900  0.08219300  0.16032400  1
  O  O35  1  0.60675900  0.91780700  0.16032400  1
  O  O36  1  0.77050400  0.16682900  0.17566000  1
  O  O37  1  0.27050400  0.83317100  0.17566000  1
  O  O38  1  0.47644600  0.17266500  0.22283900  1
  O  O39  1  0.97644600  0.82733500  0.22283900  1
  O  O40  1  0.97644600  0.32733500  0.27716100  1
  O  O41  1  0.47644600  0.67266500  0.27716100  1
  O  O42  1  0.77050400  0.66682900  0.32434000  1
  O  O43  1  0.27050400  0.33317100  0.32434000  1
  O  O44  1  0.60675900  0.41780700  0.33967600  1
  O  O45  1  0.10675900  0.58219300  0.33967600  1
  O  O46  1  0.66448100  0.14661500  0.41125100  1
  O  O47  1  0.16448100  0.85338500  0.41125100  1
  O  O48  1  0.36834700  0.06432500  0.43512000  1
  O  O49  1  0.86834700  0.93567500  0.43512000  1
  O  O50  1  0.56722200  0.64365000  0.47963500  1
  O  O51  1  0.06722200  0.35635000  0.47963500  1
  O  O52  1  0.43277800  0.35635000  0.52036500  1
  O  O53  1  0.93277800  0.64365000  0.52036500  1
  O  O54  1  0.13165300  0.06432500  0.56488000  1
  O  O55  1  0.63165300  0.93567500  0.56488000  1
  O  O56  1  0.83551900  0.14661500  0.58874900  1
  O  O57  1  0.33551900  0.85338500  0.58874900  1
  O  O58  1  0.89324100  0.41780700  0.66032400  1
  O  O59  1  0.39324100  0.58219300  0.66032400  1
  O  O60  1  0.22949600  0.33317100  0.67566000  1
  O  O61  1  0.72949600  0.66682900  0.67566000  1
  O  O62  1  0.52355400  0.32733500  0.72283900  1
  O  O63  1  0.02355400  0.67266500  0.72283900  1
  O  O64  1  0.02355400  0.17266500  0.77716100  1
  O  O65  1  0.52355400  0.82733500  0.77716100  1
  O  O66  1  0.72949600  0.16682900  0.82434000  1
  O  O67  1  0.22949600  0.83317100  0.82434000  1
  O  O68  1  0.39324100  0.08219300  0.83967600  1
  O  O69  1  0.89324100  0.91780700  0.83967600  1
  O  O70  1  0.33551900  0.35338500  0.91125100  1
  O  O71  1  0.83551900  0.64661500  0.91125100  1
  O  O72  1  0.63165300  0.43567500  0.93512000  1
  O  O73  1  0.13165300  0.56432500  0.93512000  1
  O  O74  1  0.93277800  0.14365000  0.97963500  1
  O  O75  1  0.43277800  0.85635000  0.97963500  1
