# generated using pymatgen
data_BaTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12088306
_cell_length_b   4.12088306
_cell_length_c   5.03251100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.40670806
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTiO3
_chemical_formula_sum   'Ba1 Ti1 O3'
_cell_volume   85.45832404
_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  0.00335200  0.99664800  0.00000000  1.0
  Ti  Ti1  1  0.50899800  0.49100200  0.50000000  1.0
  O  O2  1  0.99033000  0.00967000  0.50000000  1.0
  O  O3  1  0.48883000  0.01231000  0.50000000  1.0
  O  O4  1  0.98769000  0.51117000  0.50000000  1.0