# generated using pymatgen
data_Li3TiCr2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95731035
_cell_length_b   12.96912226
_cell_length_c   5.98403318
_cell_angle_alpha   102.88646113
_cell_angle_beta   90.08129340
_cell_angle_gamma   89.97993265
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3TiCr2O6
_chemical_formula_sum   'Li6 Ti2 Cr4 O12'
_cell_volume   223.72924986
_cell_formula_units_Z   2
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  0.00000700  0.66657400  0.83463300  1
  Li  Li1  1  0.49999200  0.16677100  0.33206800  1
  Li  Li2  1  0.00000300  0.99847200  0.49614900  1
  Li  Li3  1  0.49985600  0.49775400  0.99417800  1
  Li  Li4  1  0.00012800  0.33544700  0.17211500  1
  Li  Li5  1  0.49999600  0.83497500  0.67077600  1
  Ti  Ti6  1  0.99929500  0.66426600  0.33660100  1
  Ti  Ti7  1  0.50062400  0.16917700  0.83003100  1
  Cr  Cr8  1  0.50040200  0.50043800  0.50017200  1
  Cr  Cr9  1  0.99964800  0.33279200  0.66670600  1
  Cr  Cr10  1  0.99966600  0.00028500  0.00135700  1
  Cr  Cr11  1  0.50037500  0.83303400  0.16526500  1
  O  O12  1  0.00004600  0.50280800  0.26515300  1
  O  O13  1  0.49904800  0.00573400  0.76993300  1
  O  O14  1  0.00100100  0.82759000  0.39681800  1
  O  O15  1  0.50002800  0.33070600  0.90163900  1
  O  O16  1  0.99980000  0.83966200  0.93655000  1
  O  O17  1  0.49974700  0.33964800  0.43795500  1
  O  O18  1  0.00025600  0.49368800  0.72874100  1
  O  O19  1  0.50021200  0.99362900  0.23012500  1
  O  O20  1  0.00204900  0.17058400  0.59136300  1
  O  O21  1  0.50116200  0.67172700  0.09858300  1
  O  O22  1  0.99894000  0.16151200  0.06795300  1
  O  O23  1  0.49771900  0.66273000  0.57514400  1
