# generated using pymatgen
data_BaTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74566833
_cell_length_b   5.74566838
_cell_length_c   13.99927295
_cell_angle_alpha   89.99999183
_cell_angle_beta   89.99999815
_cell_angle_gamma   120.00005819
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTiO3
_chemical_formula_sum   'Ba6 Ti6 O18'
_cell_volume   400.23675351
_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
  Ba  Ba0  1  0.33333350  0.66666644  0.40334399  1.0
  Ba  Ba1  1  0.66666682  0.33333337  0.90333899  1.0
  Ba  Ba2  1  0.66666663  0.33333302  0.59666109  1.0
  Ba  Ba3  1  0.33333342  0.66666648  0.09665595  1.0
  Ba  Ba4  1  -0.00000003  0.00000022  0.75000013  1.0
  Ba  Ba5  1  -0.00000001  -0.00000010  0.25000002  1.0
  Ti  Ti6  1  0.33333303  0.66666645  0.65367713  1.0
  Ti  Ti7  1  0.66666677  0.33333326  0.15367601  1.0
  Ti  Ti8  1  0.66666660  0.33333330  0.34632397  1.0
  Ti  Ti9  1  0.33333366  0.66666695  0.84632293  1.0
  Ti  Ti10  1  -0.00000021  -0.00000017  0.50000163  1.0
  Ti  Ti11  1  0.00000040  0.00000010  0.99999830  1.0
  O  O12  1  0.83473148  0.16526868  0.41946969  1.0
  O  O13  1  0.83473161  0.66946322  0.41946986  1.0
  O  O14  1  0.33053683  0.16526842  0.41946985  1.0
  O  O15  1  0.66946449  0.83473260  0.91946603  1.0
  O  O16  1  0.16526746  0.33053572  0.58053406  1.0
  O  O17  1  0.16526757  0.83473263  0.91946585  1.0
  O  O18  1  0.16526722  0.33053543  0.91946604  1.0
  O  O19  1  0.83473160  0.16526854  0.08053063  1.0
  O  O20  1  0.33053701  0.16526858  0.08053018  1.0
  O  O21  1  0.66946437  0.83473253  0.58053409  1.0
  O  O22  1  0.16526734  0.83473263  0.58053457  1.0
  O  O23  1  0.83473139  0.66946296  0.08053018  1.0
  O  O24  1  0.51809557  0.03619191  0.25000013  1.0
  O  O25  1  0.48190473  0.51809522  0.75000017  1.0
  O  O26  1  0.03619106  0.51809510  0.75000018  1.0
  O  O27  1  0.96380814  0.48190436  0.25000010  1.0
  O  O28  1  0.51809568  0.48190421  0.25000007  1.0
  O  O29  1  0.48190486  0.96380895  0.75000020  1.0