# generated using pymatgen
data_Li4TiCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06926583
_cell_length_b   5.06926583
_cell_length_c   5.11842701
_cell_angle_alpha   80.55462110
_cell_angle_beta   80.55462110
_cell_angle_gamma   120.16291307
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4TiCrO6
_chemical_formula_sum   'Li4 Ti1 Cr1 O6'
_cell_volume   107.38947424
_cell_formula_units_Z   1
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  0.00018500  0.99981500  0.50000000  1
  Li  Li1  1  0.49575100  0.50424900  0.00000000  1
  Li  Li2  1  0.65730500  0.34269500  0.50000000  1
  Li  Li3  1  0.33425000  0.66575000  0.50000000  1
  Ti  Ti4  1  0.83175800  0.16824200  0.00000000  1
  Cr  Cr5  1  0.16377500  0.83622500  0.00000000  1
  O  O6  1  0.77682100  0.78389800  0.23238700  1
  O  O7  1  0.21610200  0.22317900  0.76761300  1
  O  O8  1  0.41701400  0.07085000  0.22386500  1
  O  O9  1  0.92915000  0.58298600  0.77613500  1
  O  O10  1  0.57571700  0.93899200  0.77198900  1
  O  O11  1  0.06100800  0.42428300  0.22801100  1
