# generated using pymatgen
data_LiTiAlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85112980
_cell_length_b   5.85112980
_cell_length_c   5.85112980
_cell_angle_alpha   120.93676403
_cell_angle_beta   119.10738706
_cell_angle_gamma   89.96907419
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiAlO4
_chemical_formula_sum   'Li2 Ti2 Al2 O8'
_cell_volume   141.55353448
_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  0.12143200  0.87143200  0.25000000  1
  Li  Li1  1  0.87856800  0.12856800  0.75000000  1
  Ti  Ti2  1  0.50000000  0.50000000  0.00000000  1
  Ti  Ti3  1  0.00000000  0.50000000  0.50000000  1
  Al  Al4  1  0.50000000  0.50000000  0.50000000  1
  Al  Al5  1  0.50000000  0.00000000  0.00000000  1
  O  O6  1  0.73672500  0.25771800  0.02099200  1
  O  O7  1  0.73672500  0.71573300  0.47900800  1
  O  O8  1  0.72881200  0.26185900  0.46695300  1
  O  O9  1  0.29490600  0.26185900  0.03304700  1
  O  O10  1  0.26327500  0.74228200  0.97900800  1
  O  O11  1  0.26327500  0.28426700  0.52099200  1
  O  O12  1  0.27118800  0.73814100  0.53304700  1
  O  O13  1  0.70509400  0.73814100  0.96695300  1
