# generated using pymatgen
data_Li2TiCr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41922671
_cell_length_b   8.41922671
_cell_length_c   8.38342300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.51574431
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiCr3O8
_chemical_formula_sum   'Li8 Ti4 Cr12 O32'
_cell_volume   594.22126974
_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  0.75336400  0.50152300  0.61978400  1
  Li  Li1  1  0.49847700  0.24663600  0.88021600  1
  Li  Li2  1  0.00422200  0.74984300  0.87491800  1
  Li  Li3  1  0.74984300  0.00422200  0.12508200  1
  Li  Li4  1  0.24663600  0.49847700  0.11978400  1
  Li  Li5  1  0.50152300  0.75336400  0.38021600  1
  Li  Li6  1  0.99577800  0.25015700  0.37491800  1
  Li  Li7  1  0.25015700  0.99577800  0.62508200  1
  Ti  Ti8  1  0.87606500  0.12393500  0.75000000  1
  Ti  Ti9  1  0.62269200  0.62269200  0.00000000  1
  Ti  Ti10  1  0.12393500  0.87606500  0.25000000  1
  Ti  Ti11  1  0.37730800  0.37730800  0.50000000  1
  Cr  Cr12  1  0.62457000  0.87596600  0.74962200  1
  Cr  Cr13  1  0.37614100  0.62385900  0.75000000  1
  Cr  Cr14  1  0.12403400  0.37543000  0.75037800  1
  Cr  Cr15  1  0.37902200  0.87682100  0.00160600  1
  Cr  Cr16  1  0.12651700  0.12651700  0.00000000  1
  Cr  Cr17  1  0.87682100  0.37902200  0.99839400  1
  Cr  Cr18  1  0.37543000  0.12403400  0.24962200  1
  Cr  Cr19  1  0.62385900  0.37614100  0.25000000  1
  Cr  Cr20  1  0.87596600  0.62457000  0.25037800  1
  Cr  Cr21  1  0.62097800  0.12317900  0.50160600  1
  Cr  Cr22  1  0.87348300  0.87348300  0.50000000  1
  Cr  Cr23  1  0.12317900  0.62097800  0.49839400  1
  O  O24  1  0.63776100  0.11090700  0.74224700  1
  O  O25  1  0.86119000  0.88998300  0.74303400  1
  O  O26  1  0.13669600  0.60785000  0.73773700  1
  O  O27  1  0.61979300  0.63933700  0.76221200  1
  O  O28  1  0.36066300  0.38020700  0.73778800  1
  O  O29  1  0.39215000  0.86330400  0.76226300  1
  O  O30  1  0.11001700  0.13881000  0.75696600  1
  O  O31  1  0.88909300  0.36223900  0.75775300  1
  O  O32  1  0.62151500  0.86183600  0.98107700  1
  O  O33  1  0.39348600  0.63672800  0.99070100  1
  O  O34  1  0.11535200  0.36442600  0.98084300  1
  O  O35  1  0.13868900  0.88737400  0.01536700  1
  O  O36  1  0.88737400  0.13868900  0.98463300  1
  O  O37  1  0.36442600  0.11535200  0.01915700  1
  O  O38  1  0.63672800  0.39348600  0.00929900  1
  O  O39  1  0.86183600  0.62151500  0.01892300  1
  O  O40  1  0.36223900  0.88909300  0.24224700  1
  O  O41  1  0.13881000  0.11001700  0.24303400  1
  O  O42  1  0.86330400  0.39215000  0.23773700  1
  O  O43  1  0.38020700  0.36066300  0.26221200  1
  O  O44  1  0.63933700  0.61979300  0.23778800  1
  O  O45  1  0.60785000  0.13669600  0.26226300  1
  O  O46  1  0.88998300  0.86119000  0.25696600  1
  O  O47  1  0.11090700  0.63776100  0.25775300  1
  O  O48  1  0.37848500  0.13816400  0.48107700  1
  O  O49  1  0.60651400  0.36327200  0.49070100  1
  O  O50  1  0.88464800  0.63557400  0.48084300  1
  O  O51  1  0.86131100  0.11262600  0.51536700  1
  O  O52  1  0.11262600  0.86131100  0.48463300  1
  O  O53  1  0.63557400  0.88464800  0.51915700  1
  O  O54  1  0.36327200  0.60651400  0.50929900  1
  O  O55  1  0.13816400  0.37848500  0.51892300  1
