# generated using pymatgen
data_TiAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48850049
_cell_length_b   5.48850049
_cell_length_c   12.03981600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000596
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlO3
_chemical_formula_sum   'Ti6 Al6 O18'
_cell_volume   314.09272022
_cell_formula_units_Z   6
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  0.66947800  0.00000000  0.50090500  1.0
  Ti  Ti1  1  0.66947800  0.66947800  0.00090500  1.0
  Ti  Ti2  1  0.00000000  0.33052200  0.00090500  1.0
  Ti  Ti3  1  0.00000000  0.66947800  0.50090500  1.0
  Ti  Ti4  1  0.33052200  0.33052200  0.50090500  1.0
  Ti  Ti5  1  0.33052200  0.00000000  0.00090500  1.0
  Al  Al6  1  0.66666700  0.33333300  0.25193500  1.0
  Al  Al7  1  0.33333300  0.66666700  0.75193500  1.0
  Al  Al8  1  0.66666700  0.33333300  0.75193500  1.0
  Al  Al9  1  0.33333300  0.66666700  0.25193500  1.0
  Al  Al10  1  0.00000000  0.00000000  0.75094300  1.0
  Al  Al11  1  0.00000000  0.00000000  0.25094300  1.0
  O  O12  1  0.66666700  0.33333300  0.01827900  1.0
  O  O13  1  0.33333300  0.66666700  0.51827900  1.0
  O  O14  1  0.66666700  0.33333300  0.51827900  1.0
  O  O15  1  0.33333300  0.66666700  0.01827900  1.0
  O  O16  1  0.00000000  0.00000000  0.96963600  1.0
  O  O17  1  0.00000000  0.00000000  0.46963600  1.0
  O  O18  1  0.35550500  0.00000000  0.82759400  1.0
  O  O19  1  0.35550500  0.35550500  0.32759400  1.0
  O  O20  1  0.00000000  0.64449500  0.32759400  1.0
  O  O21  1  0.00000000  0.35550500  0.82759400  1.0
  O  O22  1  0.64449500  0.64449500  0.82759400  1.0
  O  O23  1  0.64449500  0.00000000  0.32759400  1.0
  O  O24  1  0.31678500  0.00000000  0.17616500  1.0
  O  O25  1  0.31678500  0.31678500  0.67616500  1.0
  O  O26  1  0.00000000  0.68321500  0.67616500  1.0
  O  O27  1  0.00000000  0.31678500  0.17616500  1.0
  O  O28  1  0.68321500  0.68321500  0.17616500  1.0
  O  O29  1  0.68321500  0.00000000  0.67616500  1.0