[CIF]
data_BaTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99888600
_cell_length_b   4.10719110
_cell_length_c   4.10719110
_cell_angle_alpha   89.65481098
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTiO3
_chemical_formula_sum   'Ba1 Ti1 O3'
_cell_volume   67.45605852
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.00000000  -0.00000000  5.72240695  1
  Ti  Ti1  1  1.99944300  -0.00000000  2.71717809  1
  O  O2  1  0.00000000  0.00000000  2.94025824  1
  O  O3  1  1.99944300  -1.40272056  1.50450494  1
  O  O4  1  1.99944300  1.40272056  1.50450494  1
[/CIF]
