# generated using pymatgen
data_Li2Cr3(CuO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.82681300
_cell_length_b   8.94833900
_cell_length_c   13.49263700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Cr3(CuO6)2
_chemical_formula_sum   'Li8 Cr12 Cu8 O48'
_cell_volume   1065.72018381
_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  0.27029100  0.22845100  0.19087100  1
  Li  Li1  1  0.77029100  0.77154900  0.19087100  1
  Li  Li2  1  0.77029100  0.27154900  0.30912900  1
  Li  Li3  1  0.27029100  0.72845100  0.30912900  1
  Li  Li4  1  0.72970900  0.27154900  0.69087100  1
  Li  Li5  1  0.22970900  0.72845100  0.69087100  1
  Li  Li6  1  0.22970900  0.22845100  0.80912900  1
  Li  Li7  1  0.72970900  0.77154900  0.80912900  1
  Cr  Cr8  1  0.25000000  0.46328900  0.00000000  1
  Cr  Cr9  1  0.75000000  0.53671100  0.00000000  1
  Cr  Cr10  1  0.60881000  0.09664600  0.14177200  1
  Cr  Cr11  1  0.10881000  0.90335400  0.14177200  1
  Cr  Cr12  1  0.10881000  0.40335400  0.35822800  1
  Cr  Cr13  1  0.60881000  0.59664600  0.35822800  1
  Cr  Cr14  1  0.75000000  0.03671100  0.50000000  1
  Cr  Cr15  1  0.25000000  0.96328900  0.50000000  1
  Cr  Cr16  1  0.39119000  0.40335400  0.64177200  1
  Cr  Cr17  1  0.89119000  0.59664600  0.64177200  1
  Cr  Cr18  1  0.89119000  0.09664600  0.85822800  1
  Cr  Cr19  1  0.39119000  0.90335400  0.85822800  1
  Cu  Cu20  1  0.96606600  0.25133500  0.11171500  1
  Cu  Cu21  1  0.46606600  0.74866500  0.11171500  1
  Cu  Cu22  1  0.46606600  0.24866500  0.38828500  1
  Cu  Cu23  1  0.96606600  0.75133500  0.38828500  1
  Cu  Cu24  1  0.03393400  0.24866500  0.61171500  1
  Cu  Cu25  1  0.53393400  0.75133500  0.61171500  1
  Cu  Cu26  1  0.53393400  0.25133500  0.88828500  1
  Cu  Cu27  1  0.03393400  0.74866500  0.88828500  1
  O  O28  1  0.57265400  0.13634500  0.02632100  1
  O  O29  1  0.07265400  0.86365500  0.02632100  1
  O  O30  1  0.37204300  0.56758900  0.06188800  1
  O  O31  1  0.87204300  0.43241100  0.06188800  1
  O  O32  1  0.16311400  0.35339000  0.08496900  1
  O  O33  1  0.66311400  0.64661000  0.08496900  1
  O  O34  1  0.10464000  0.09222000  0.15835000  1
  O  O35  1  0.60464000  0.90778000  0.15835000  1
  O  O36  1  0.77943900  0.16920000  0.17556100  1
  O  O37  1  0.27943900  0.83080000  0.17556100  1
  O  O38  1  0.47691100  0.17001800  0.21326200  1
  O  O39  1  0.97691100  0.82998200  0.21326200  1
  O  O40  1  0.97691100  0.32998200  0.28673800  1
  O  O41  1  0.47691100  0.67001800  0.28673800  1
  O  O42  1  0.77943900  0.66920000  0.32443900  1
  O  O43  1  0.27943900  0.33080000  0.32443900  1
  O  O44  1  0.60464000  0.40778000  0.34165000  1
  O  O45  1  0.10464000  0.59222000  0.34165000  1
  O  O46  1  0.66311400  0.14661000  0.41503100  1
  O  O47  1  0.16311400  0.85339000  0.41503100  1
  O  O48  1  0.37204300  0.06758900  0.43811200  1
  O  O49  1  0.87204300  0.93241100  0.43811200  1
  O  O50  1  0.57265400  0.63634500  0.47367900  1
  O  O51  1  0.07265400  0.36365500  0.47367900  1
  O  O52  1  0.42734600  0.36365500  0.52632100  1
  O  O53  1  0.92734600  0.63634500  0.52632100  1
  O  O54  1  0.12795700  0.06758900  0.56188800  1
  O  O55  1  0.62795700  0.93241100  0.56188800  1
  O  O56  1  0.83688600  0.14661000  0.58496900  1
  O  O57  1  0.33688600  0.85339000  0.58496900  1
  O  O58  1  0.89536000  0.40778000  0.65835000  1
  O  O59  1  0.39536000  0.59222000  0.65835000  1
  O  O60  1  0.22056100  0.33080000  0.67556100  1
  O  O61  1  0.72056100  0.66920000  0.67556100  1
  O  O62  1  0.52308900  0.32998200  0.71326200  1
  O  O63  1  0.02308900  0.67001800  0.71326200  1
  O  O64  1  0.02308900  0.17001800  0.78673800  1
  O  O65  1  0.52308900  0.82998200  0.78673800  1
  O  O66  1  0.72056100  0.16920000  0.82443900  1
  O  O67  1  0.22056100  0.83080000  0.82443900  1
  O  O68  1  0.39536000  0.09222000  0.84165000  1
  O  O69  1  0.89536000  0.90778000  0.84165000  1
  O  O70  1  0.33688600  0.35339000  0.91503100  1
  O  O71  1  0.83688600  0.64661000  0.91503100  1
  O  O72  1  0.62795700  0.43241100  0.93811200  1
  O  O73  1  0.12795700  0.56758900  0.93811200  1
  O  O74  1  0.92734600  0.13634500  0.97367900  1
  O  O75  1  0.42734600  0.86365500  0.97367900  1
