# generated using pymatgen
data_Li3Cr3(CuO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17873300
_cell_length_b   8.84222000
_cell_length_c   15.03924376
_cell_angle_alpha   56.61159046
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Cr3(CuO6)2
_chemical_formula_sum   'Li12 Cr12 Cu8 O48'
_cell_volume   1019.14342766
_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  0.91226300  0.37586500  0.69750000  1
  Li  Li1  1  0.49283000  0.71592500  0.34362100  1
  Li  Li2  1  0.22631000  0.00153000  0.17826100  1
  Li  Li3  1  0.72631000  0.99847000  0.32173900  1
  Li  Li4  1  0.41226300  0.62413500  0.80250000  1
  Li  Li5  1  0.99283000  0.28407500  0.15637900  1
  Li  Li6  1  0.00717000  0.71592500  0.84362100  1
  Li  Li7  1  0.58773700  0.37586500  0.19750000  1
  Li  Li8  1  0.27369000  0.00153000  0.67826100  1
  Li  Li9  1  0.77369000  0.99847000  0.82173900  1
  Li  Li10  1  0.50717000  0.28407500  0.65637900  1
  Li  Li11  1  0.08773700  0.62413500  0.30250000  1
  Cr  Cr12  1  0.75023200  0.55331000  0.49212300  1
  Cr  Cr13  1  0.62361100  0.26312200  0.85288800  1
  Cr  Cr14  1  0.88746500  0.96765200  0.14783800  1
  Cr  Cr15  1  0.12361100  0.73687800  0.64711200  1
  Cr  Cr16  1  0.38746500  0.03234800  0.35216200  1
  Cr  Cr17  1  0.25023200  0.44669000  0.00787700  1
  Cr  Cr18  1  0.74976800  0.55331000  0.99212300  1
  Cr  Cr19  1  0.61253500  0.96765200  0.64783800  1
  Cr  Cr20  1  0.87638900  0.26312200  0.35288800  1
  Cr  Cr21  1  0.11253500  0.03234800  0.85216200  1
  Cr  Cr22  1  0.37638900  0.73687800  0.14711200  1
  Cr  Cr23  1  0.24976800  0.44669000  0.50787700  1
  Cu  Cu24  1  0.97301400  0.35151100  0.89520400  1
  Cu  Cu25  1  0.47301400  0.64848900  0.60479600  1
  Cu  Cu26  1  0.03571000  0.86782300  0.38614700  1
  Cu  Cu27  1  0.53571000  0.13217700  0.11385300  1
  Cu  Cu28  1  0.46429000  0.86782300  0.88614700  1
  Cu  Cu29  1  0.96429000  0.13217700  0.61385300  1
  Cu  Cu30  1  0.52698600  0.35151100  0.39520400  1
  Cu  Cu31  1  0.02698600  0.64848900  0.10479600  1
  O  O32  1  0.12123200  0.60441500  0.44458200  1
  O  O33  1  0.11406400  0.15058500  0.90658800  1
  O  O34  1  0.33492300  0.45554100  0.60355400  1
  O  O35  1  0.41991300  0.86872300  0.19453700  1
  O  O36  1  0.62978500  0.51354100  0.58822500  1
  O  O37  1  0.80771900  0.29049600  0.83570300  1
  O  O38  1  0.58307500  0.15325300  0.98028400  1
  O  O39  1  0.01421400  0.87264600  0.24824000  1
  O  O40  1  0.72304500  0.97470400  0.19589700  1
  O  O41  1  0.82106700  0.76162400  0.43590300  1
  O  O42  1  0.53218100  0.45747300  0.78505100  1
  O  O43  1  0.03218100  0.54252700  0.71494900  1
  O  O44  1  0.94443400  0.18212500  0.06330500  1
  O  O45  1  0.44443400  0.81787500  0.43669500  1
  O  O46  1  0.32106700  0.23837600  0.06409700  1
  O  O47  1  0.22304500  0.02529600  0.30410300  1
  O  O48  1  0.08307500  0.84674700  0.51971600  1
  O  O49  1  0.51421400  0.12735400  0.25176000  1
  O  O50  1  0.30771900  0.70950400  0.66429700  1
  O  O51  1  0.12978500  0.48645900  0.91177500  1
  O  O52  1  0.83492300  0.54445900  0.89644600  1
  O  O53  1  0.61406400  0.84941500  0.59341200  1
  O  O54  1  0.91991300  0.13127700  0.30546300  1
  O  O55  1  0.62123200  0.39558500  0.05541800  1
  O  O56  1  0.37876800  0.60441500  0.94458200  1
  O  O57  1  0.08008700  0.86872300  0.69453700  1
  O  O58  1  0.38593600  0.15058500  0.40658800  1
  O  O59  1  0.16507700  0.45554100  0.10355400  1
  O  O60  1  0.87021500  0.51354100  0.08822500  1
  O  O61  1  0.69228100  0.29049600  0.33570300  1
  O  O62  1  0.48578600  0.87264600  0.74824000  1
  O  O63  1  0.91692500  0.15325300  0.48028400  1
  O  O64  1  0.77695500  0.97470400  0.69589700  1
  O  O65  1  0.67893300  0.76162400  0.93590300  1
  O  O66  1  0.55556600  0.18212500  0.56330500  1
  O  O67  1  0.05556600  0.81787500  0.93669500  1
  O  O68  1  0.96781900  0.45747300  0.28505100  1
  O  O69  1  0.46781900  0.54252700  0.21494900  1
  O  O70  1  0.17893300  0.23837600  0.56409700  1
  O  O71  1  0.27695500  0.02529600  0.80410300  1
  O  O72  1  0.98578600  0.12735400  0.75176000  1
  O  O73  1  0.41692500  0.84674700  0.01971600  1
  O  O74  1  0.19228100  0.70950400  0.16429700  1
  O  O75  1  0.37021500  0.48645900  0.41177500  1
  O  O76  1  0.58008700  0.13127700  0.80546300  1
  O  O77  1  0.66507700  0.54445900  0.39644600  1
  O  O78  1  0.88593600  0.84941500  0.09341200  1
  O  O79  1  0.87876800  0.39558500  0.55541800  1
