# generated using pymatgen
data_Ti2AlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47780842
_cell_length_b   6.47780842
_cell_length_c   6.47780842
_cell_angle_alpha   130.38211482
_cell_angle_beta   130.38211482
_cell_angle_gamma   72.79662604
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AlO4
_chemical_formula_sum   'Ti4 Al2 O8'
_cell_volume   154.08144513
_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
  Ti  Ti0  1  0.87500000  0.12500000  0.75000000  1.0
  Ti  Ti1  1  0.37500000  0.12500000  0.25000000  1.0
  Ti  Ti2  1  0.87500000  0.62500000  0.75000000  1.0
  Ti  Ti3  1  0.87500000  0.12500000  0.25000000  1.0
  Al  Al4  1  0.25000000  0.75000000  0.50000000  1.0
  Al  Al5  1  0.50000000  0.50000000  0.00000000  1.0
  O  O6  1  0.49953900  0.91226000  0.96694900  1.0
  O  O7  1  0.94531100  0.53259000  0.03305100  1.0
  O  O8  1  0.25046100  0.33774000  0.53305100  1.0
  O  O9  1  0.80468900  0.71741000  0.46694900  1.0
  O  O10  1  0.66226000  0.19531100  0.91272100  1.0
  O  O11  1  0.28259000  0.74953900  0.08727900  1.0
  O  O12  1  0.46741000  0.50046100  0.41272100  1.0
  O  O13  1  0.08774000  0.05468900  0.58727900  1.0