# generated using pymatgen
data_TiAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43979186
_cell_length_b   5.43979186
_cell_length_c   5.43979171
_cell_angle_alpha   53.98988910
_cell_angle_beta   53.98988910
_cell_angle_gamma   53.98988548
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlO3
_chemical_formula_sum   'Ti2 Al2 O6'
_cell_volume   97.84417929
_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  0.35098800  0.35098800  0.35098800  1.0
  Ti  Ti1  1  0.64901200  0.64901200  0.64901200  1.0
  Al  Al2  1  0.15118300  0.15118300  0.15118300  1.0
  Al  Al3  1  0.84881700  0.84881700  0.84881700  1.0
  O  O4  1  0.77108100  0.05346200  0.43908200  1.0
  O  O5  1  0.05346200  0.43908200  0.77108100  1.0
  O  O6  1  0.43908200  0.77108100  0.05346200  1.0
  O  O7  1  0.56091800  0.22891900  0.94653800  1.0
  O  O8  1  0.94653800  0.56091800  0.22891900  1.0
  O  O9  1  0.22891900  0.94653800  0.56091800  1.0