# generated using pymatgen
data_Li2TiCr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92026834
_cell_length_b   10.46504361
_cell_length_c   5.91753874
_cell_angle_alpha   89.87416741
_cell_angle_beta   119.85116242
_cell_angle_gamma   106.42919467
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiCr3O8
_chemical_formula_sum   'Li4 Ti2 Cr6 O16'
_cell_volume   300.73787125
_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  0.49999800  0.74997000  0.74996300  1
  Li  Li1  1  0.49999100  0.24998900  0.24993600  1
  Li  Li2  1  0.50004900  0.75002500  0.24996300  1
  Li  Li3  1  0.50002400  0.25000800  0.74997700  1
  Ti  Ti4  1  0.99994900  0.99994100  0.00004100  1
  Ti  Ti5  1  0.99992500  0.49993200  0.50000600  1
  Cr  Cr6  1  0.00000700  0.50001600  0.00000300  1
  Cr  Cr7  1  0.50007600  0.50002400  0.50007200  1
  Cr  Cr8  1  0.49996700  0.50000300  0.99995600  1
  Cr  Cr9  1  0.00001100  0.00001600  0.50002200  1
  Cr  Cr10  1  0.50003800  0.00002200  0.00004800  1
  Cr  Cr11  1  0.49999900  0.00000900  0.50000300  1
  O  O12  1  0.27689300  0.40038400  0.12787500  1
  O  O13  1  0.27691800  0.90037800  0.62788000  1
  O  O14  1  0.72296600  0.09954300  0.37211500  1
  O  O15  1  0.72296100  0.59952400  0.87208200  1
  O  O16  1  0.23859100  0.60626500  0.37426000  1
  O  O17  1  0.23862800  0.10631200  0.87427000  1
  O  O18  1  0.76146100  0.89372800  0.12574500  1
  O  O19  1  0.76148000  0.39378800  0.62573200  1
  O  O20  1  0.24395500  0.60802800  0.86667900  1
  O  O21  1  0.24401800  0.10807400  0.36672000  1
  O  O22  1  0.75604000  0.89195400  0.63331500  1
  O  O23  1  0.75609600  0.39200600  0.13335300  1
  O  O24  1  0.73293300  0.60309600  0.35797200  1
  O  O25  1  0.73304700  0.10313700  0.85810200  1
  O  O26  1  0.26694100  0.89688400  0.14190400  1
  O  O27  1  0.26704000  0.39693800  0.64200600  1
