# generated using pymatgen
data_LiTiCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97182507
_cell_length_b   5.98089300
_cell_length_c   8.40005600
_cell_angle_alpha   89.99983172
_cell_angle_beta   89.99994710
_cell_angle_gamma   90.00063661
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiCrO4
_chemical_formula_sum   'Li4 Ti4 Cr4 O16'
_cell_volume   300.02351285
_cell_formula_units_Z   4
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  0.00001600  0.24996800  0.12176500  1
  Li  Li1  1  0.50000400  0.74997300  0.62180000  1
  Li  Li2  1  0.00001500  0.74996700  0.87818600  1
  Li  Li3  1  0.50000600  0.24996900  0.37821600  1
  Ti  Ti4  1  0.25001700  0.75004200  0.25000400  1
  Ti  Ti5  1  0.75002100  0.25003200  0.75000500  1
  Ti  Ti6  1  0.74998400  0.75003500  0.24999700  1
  Ti  Ti7  1  0.24998600  0.25004100  0.74999600  1
  Cr  Cr8  1  0.49999300  0.99981700  0.00004700  1
  Cr  Cr9  1  0.00000700  0.99996800  0.50001700  1
  Cr  Cr10  1  0.99995100  0.49997400  0.49996400  1
  Cr  Cr11  1  0.49999000  0.49998600  0.99999200  1
  O  O12  1  0.99999500  0.52837900  0.25796000  1
  O  O13  1  0.50000800  0.02832800  0.75797000  1
  O  O14  1  0.00000700  0.97164500  0.25796000  1
  O  O15  1  0.50000600  0.47161800  0.75805000  1
  O  O16  1  0.99999700  0.02837400  0.74199100  1
  O  O17  1  0.50000800  0.52835500  0.24208000  1
  O  O18  1  0.99999800  0.47164900  0.74198900  1
  O  O19  1  0.50001400  0.97159500  0.24199500  1
  O  O20  1  0.77236900  0.75010700  0.48330400  1
  O  O21  1  0.27244700  0.24996500  0.98335300  1
  O  O22  1  0.22759600  0.75009500  0.48330300  1
  O  O23  1  0.72757400  0.24998000  0.98335400  1
  O  O24  1  0.22755800  0.25010600  0.51665400  1
  O  O25  1  0.72764400  0.74997100  0.01669700  1
  O  O26  1  0.77241400  0.25009000  0.51665100  1
  O  O27  1  0.27237700  0.74997200  0.01670000  1
