# generated using pymatgen
data_ScTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64191791
_cell_length_b   5.64191791
_cell_length_c   5.64191763
_cell_angle_alpha   55.41961692
_cell_angle_beta   55.41961692
_cell_angle_gamma   55.41962213
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTiO3
_chemical_formula_sum   'Sc2 Ti2 O6'
_cell_volume   113.47907295
_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
  Sc  Sc0  1  0.35590900  0.35590900  0.35590900  1.0
  Sc  Sc1  1  0.64409100  0.64409100  0.64409100  1.0
  Ti  Ti2  1  0.15118900  0.15118900  0.15118900  1.0
  Ti  Ti3  1  0.84881100  0.84881100  0.84881100  1.0
  O  O4  1  0.76127400  0.05052400  0.44392300  1.0
  O  O5  1  0.05052400  0.44392300  0.76127400  1.0
  O  O6  1  0.44392300  0.76127400  0.05052400  1.0
  O  O7  1  0.55607700  0.23872600  0.94947600  1.0
  O  O8  1  0.94947600  0.55607700  0.23872600  1.0
  O  O9  1  0.23872600  0.94947600  0.55607700  1.0