# generated using pymatgen
data_Li2TiCr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87239779
_cell_length_b   5.94753435
_cell_length_c   8.66145524
_cell_angle_alpha   92.27644803
_cell_angle_beta   90.08145906
_cell_angle_gamma   90.03314527
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiCr3O8
_chemical_formula_sum   'Li4 Ti2 Cr6 O16'
_cell_volume   302.27336938
_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  0.24998100  0.75007700  0.24999400  1
  Li  Li1  1  0.74999300  0.25012300  0.75012200  1
  Li  Li2  1  0.75008000  0.75020500  0.25018200  1
  Li  Li3  1  0.25005700  0.24974900  0.74990400  1
  Ti  Ti4  1  0.99956000  0.99563500  0.00049400  1
  Ti  Ti5  1  0.50051900  0.50491800  0.49951600  1
  Cr  Cr6  1  0.75013200  0.74993500  0.74989200  1
  Cr  Cr7  1  0.74979000  0.25006100  0.24989200  1
  Cr  Cr8  1  0.25001800  0.74979700  0.75007800  1
  Cr  Cr9  1  0.00005800  0.49845500  0.50029500  1
  Cr  Cr10  1  0.49992700  0.00095400  0.99966300  1
  Cr  Cr11  1  0.24997000  0.25014600  0.24994700  1
  O  O12  1  0.00025600  0.48470900  0.27139300  1
  O  O13  1  0.49999300  0.98425700  0.77065400  1
  O  O14  1  0.99996900  0.51556500  0.72935600  1
  O  O15  1  0.49968600  0.01536700  0.22864400  1
  O  O16  1  0.00036300  0.98443200  0.77320900  1
  O  O17  1  0.49994100  0.48594400  0.27280200  1
  O  O18  1  0.99991900  0.01434600  0.22722300  1
  O  O19  1  0.49982000  0.51548400  0.72680600  1
  O  O20  1  0.24444500  0.71797900  0.51334300  1
  O  O21  1  0.74606500  0.21600700  0.01324800  1
  O  O22  1  0.75446200  0.71809100  0.51319800  1
  O  O23  1  0.25696100  0.21562800  0.01438400  1
  O  O24  1  0.24305700  0.28427200  0.48558300  1
  O  O25  1  0.74557300  0.78191900  0.98671100  1
  O  O26  1  0.75384600  0.28399900  0.48660400  1
  O  O27  1  0.25556000  0.78194700  0.98686400  1
