# generated using pymatgen
data_Li2TiCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71666408
_cell_length_b   9.32320945
_cell_length_c   5.71666866
_cell_angle_alpha   72.12595464
_cell_angle_beta   90.01480045
_cell_angle_gamma   107.87426902
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiCrO4
_chemical_formula_sum   'Li8 Ti4 Cr4 O16'
_cell_volume   274.49396173
_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  0.37497192  0.24991764  0.62504562  1
  Li  Li1  1  0.87499162  0.24997674  0.12498739  1
  Li  Li2  1  0.12496427  0.74999541  0.37496740  1
  Li  Li3  1  0.62502382  0.75000112  0.87505094  1
  Li  Li4  1  0.50000297  0.00004890  -0.00000629  1
  Li  Li5  1  -0.00001604  0.00002150  0.50000873  1
  Li  Li6  1  0.25000512  0.50006755  0.75000004  1
  Li  Li7  1  0.75000940  0.50006418  0.24998714  1
  Ti  Ti8  1  0.87498233  0.25004379  0.62495216  1
  Ti  Ti9  1  0.37502641  0.25001850  0.12503821  1
  Ti  Ti10  1  0.62498497  0.74998580  0.37499930  1
  Ti  Ti11  1  0.12501915  0.75000210  0.87499499  1
  Cr  Cr12  1  0.75000863  0.50004153  0.74996359  1
  Cr  Cr13  1  0.49996812  -0.00011840  0.50002102  1
  Cr  Cr14  1  0.25000893  0.49999483  0.25001564  1
  Cr  Cr15  1  0.00002199  -0.00000636  -0.00000351  1
  O  O16  1  0.99646333  0.49296150  0.50350980  1
  O  O17  1  0.49650776  0.49294809  0.00351661  1
  O  O18  1  0.74648754  0.99286871  0.25349857  1
  O  O19  1  0.24647525  0.99287365  0.75353682  1
  O  O20  1  0.75352454  0.00707266  0.74648149  1
  O  O21  1  0.25351260  0.00704657  0.24648121  1
  O  O22  1  0.50353157  0.50710199  0.49648934  1
  O  O23  1  0.00348269  0.50709986  0.99649960  1
  O  O24  1  0.87925914  0.75851184  0.12075159  1
  O  O25  1  0.37916413  0.75833458  0.62082418  1
  O  O26  1  0.62916968  0.25839629  0.87082557  1
  O  O27  1  0.12919397  0.25841581  0.37080969  1
  O  O28  1  0.37079637  0.74152415  0.12920253  1
  O  O29  1  0.87083410  0.74160776  0.62916853  1
  O  O30  1  0.12077649  0.24159498  0.87915784  1
  O  O31  1  0.62084822  0.24158673  0.37922127  1
