# generated using pymatgen
data_Li2TiCr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.90243418
_cell_length_b   5.90243418
_cell_length_c   9.43517400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000206
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiCr3O8
_chemical_formula_sum   'Li4 Ti2 Cr6 O16'
_cell_volume   284.67074800
_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  0.33333300  0.66666700  0.89085300  1
  Li  Li1  1  0.00000000  0.00000000  0.99472500  1
  Li  Li2  1  0.00000000  0.00000000  0.49472500  1
  Li  Li3  1  0.66666700  0.33333300  0.39085300  1
  Ti  Ti4  1  0.33333300  0.66666700  0.49780100  1
  Ti  Ti5  1  0.66666700  0.33333300  0.99780100  1
  Cr  Cr6  1  0.17187400  0.82812600  0.21687400  1
  Cr  Cr7  1  0.17187400  0.34374900  0.21687400  1
  Cr  Cr8  1  0.65625100  0.82812600  0.21687400  1
  Cr  Cr9  1  0.34374900  0.17187400  0.71687400  1
  Cr  Cr10  1  0.82812600  0.65625100  0.71687400  1
  Cr  Cr11  1  0.82812600  0.17187400  0.71687400  1
  O  O12  1  0.16747700  0.83252300  0.59618900  1
  O  O13  1  0.04019800  0.52009900  0.34207300  1
  O  O14  1  0.33333300  0.66666700  0.10413600  1
  O  O15  1  0.00000000  0.00000000  0.30146500  1
  O  O16  1  0.00000000  0.00000000  0.80146500  1
  O  O17  1  0.16747700  0.33495300  0.59618900  1
  O  O18  1  0.47990100  0.95980200  0.34207300  1
  O  O19  1  0.47990100  0.52009900  0.34207300  1
  O  O20  1  0.33495300  0.16747700  0.09618900  1
  O  O21  1  0.66504700  0.83252300  0.59618900  1
  O  O22  1  0.52009900  0.47990100  0.84207300  1
  O  O23  1  0.52009900  0.04019800  0.84207300  1
  O  O24  1  0.66666700  0.33333300  0.60413600  1
  O  O25  1  0.83252300  0.66504700  0.09618900  1
  O  O26  1  0.95980200  0.47990100  0.84207300  1
  O  O27  1  0.83252300  0.16747700  0.09618900  1
