# generated using pymatgen
data_LiCr3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.92470627
_cell_length_b   12.92470627
_cell_length_c   10.46104288
_cell_angle_alpha   70.34884546
_cell_angle_beta   70.34884546
_cell_angle_gamma   111.78351384
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr3O9
_chemical_formula_sum   'Li6 Cr18 O54'
_cell_volume   1298.52224154
_cell_formula_units_Z   6
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  0.82383500  0.66960700  0.50310700  1
  Li  Li1  1  0.66960700  0.82383500  0.00310700  1
  Li  Li2  1  0.33573800  0.15820400  0.00390200  1
  Li  Li3  1  0.52562900  0.01290100  0.46745000  1
  Li  Li4  1  0.15820400  0.33573800  0.50390200  1
  Li  Li5  1  0.01290100  0.52562900  0.96745000  1
  Cr  Cr6  1  0.84122200  0.90703300  0.18866800  1
  Cr  Cr7  1  0.90703300  0.84122200  0.68866800  1
  Cr  Cr8  1  0.43216000  0.82797700  0.29528000  1
  Cr  Cr9  1  0.76336000  0.49071600  0.30422000  1
  Cr  Cr10  1  0.82797700  0.43216000  0.79528000  1
  Cr  Cr11  1  0.49071600  0.76336000  0.80422000  1
  Cr  Cr12  1  0.88183800  0.17105700  0.20397200  1
  Cr  Cr13  1  0.18105100  0.81143600  0.25827600  1
  Cr  Cr14  1  0.49948000  0.46275300  0.27892800  1
  Cr  Cr15  1  0.17105700  0.88183800  0.70397200  1
  Cr  Cr16  1  0.81143600  0.18105100  0.75827600  1
  Cr  Cr17  1  0.53642200  0.26757600  0.15226600  1
  Cr  Cr18  1  0.46275300  0.49948000  0.77892800  1
  Cr  Cr19  1  0.19458400  0.59774200  0.15205600  1
  Cr  Cr20  1  0.26757600  0.53642200  0.65226600  1
  Cr  Cr21  1  0.59774200  0.19458400  0.65205600  1
  Cr  Cr22  1  0.07368700  0.13279000  0.34087800  1
  Cr  Cr23  1  0.13279000  0.07368700  0.84087800  1
  O  O24  1  0.99032600  0.95107400  0.01848700  1
  O  O25  1  0.95107400  0.99032600  0.51848700  1
  O  O26  1  0.83901400  0.83974000  0.35275500  1
  O  O27  1  0.71345900  0.82597500  0.18358500  1
  O  O28  1  0.83974000  0.83901400  0.85275500  1
  O  O29  1  0.52085700  0.95133600  0.30176000  1
  O  O30  1  0.82597500  0.71345900  0.68358500  1
  O  O31  1  0.83456300  0.61216000  0.32443100  1
  O  O32  1  0.84197200  0.50034500  0.13805200  1
  O  O33  1  0.49685500  0.82615900  0.13379800  1
  O  O34  1  0.95133600  0.52085700  0.80176000  1
  O  O35  1  0.91843600  0.31013900  0.07474400  1
  O  O36  1  0.61216000  0.83456300  0.82443100  1
  O  O37  1  0.26845700  0.95236600  0.09311500  1
  O  O38  1  0.56802000  0.61115800  0.13656800  1
  O  O39  1  0.50034500  0.84197200  0.63805200  1
  O  O40  1  0.82615900  0.49685500  0.63379800  1
  O  O41  1  0.00013200  0.20247400  0.25849300  1
  O  O42  1  0.31013900  0.91843600  0.57474400  1
  O  O43  1  0.95236600  0.26845700  0.59311500  1
  O  O44  1  0.61115800  0.56802000  0.63656800  1
  O  O45  1  0.20247400  0.00013200  0.75849300  1
  O  O46  1  0.26646800  0.79981400  0.35104600  1
  O  O47  1  0.59501300  0.45036100  0.35495300  1
  O  O48  1  0.89068600  0.08086800  0.11772200  1
  O  O49  1  0.37813500  0.67492200  0.46777300  1
  O  O50  1  0.71353500  0.33731500  0.47262000  1
  O  O51  1  0.79981400  0.26646800  0.85104600  1
  O  O52  1  0.45036100  0.59501300  0.85495300  1
  O  O53  1  0.08086800  0.89068600  0.61772200  1
  O  O54  1  0.67492200  0.37813500  0.96777300  1
  O  O55  1  0.33731500  0.71353500  0.97262000  1
  O  O56  1  0.47294900  0.35644800  0.20706600  1
  O  O57  1  0.13509000  0.68189300  0.22351700  1
  O  O58  1  0.04724900  0.79045800  0.37676400  1
  O  O59  1  0.73712500  0.09255400  0.35915400  1
  O  O60  1  0.56962900  0.19992800  0.27962800  1
  O  O61  1  0.21764500  0.51080400  0.27792700  1
  O  O62  1  0.35644800  0.47294900  0.70706600  1
  O  O63  1  0.35884900  0.41280100  0.42106700  1
  O  O64  1  0.68189300  0.13509000  0.72351700  1
  O  O65  1  0.79045800  0.04724900  0.87676400  1
  O  O66  1  0.09255400  0.73712500  0.85915400  1
  O  O67  1  0.19992800  0.56962900  0.77962800  1
  O  O68  1  0.08854300  0.50639200  0.12620700  1
  O  O69  1  0.43043800  0.15832800  0.14446300  1
  O  O70  1  0.51080400  0.21764500  0.77792700  1
  O  O71  1  0.41280100  0.35884900  0.92106700  1
  O  O72  1  0.50639200  0.08854300  0.62620700  1
  O  O73  1  0.15832800  0.43043800  0.64446300  1
  O  O74  1  0.16510400  0.23371600  0.37162000  1
  O  O75  1  0.15907800  0.10552400  0.21930400  1
  O  O76  1  0.23371600  0.16510400  0.87162000  1
  O  O77  1  0.10552400  0.15907800  0.71930400  1
