# generated using pymatgen
data_Ba2TiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72761598
_cell_length_b   6.17441543
_cell_length_c   11.91850771
_cell_angle_alpha   62.52903066
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TiO4
_chemical_formula_sum   'Ba8 Ti4 O16'
_cell_volume   504.55284933
_cell_formula_units_Z   4
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  0.99886590  0.97504745  0.30138283  1.0
  Ba  Ba1  1  0.49886590  0.02495255  0.19861717  1.0
  Ba  Ba2  1  0.00113410  0.02495255  0.69861717  1.0
  Ba  Ba3  1  0.50113410  0.97504745  0.80138283  1.0
  Ba  Ba4  1  0.65771764  0.30682721  0.42533861  1.0
  Ba  Ba5  1  0.15771764  0.69317279  0.07466139  1.0
  Ba  Ba6  1  0.34228236  0.69317279  0.57466139  1.0
  Ba  Ba7  1  0.84228236  0.30682721  0.92533861  1.0
  Ti  Ti8  1  0.22012103  0.34389265  0.41683914  1.0
  Ti  Ti9  1  0.72012103  0.65610735  0.08316086  1.0
  Ti  Ti10  1  0.77987897  0.65610735  0.58316086  1.0
  Ti  Ti11  1  0.27987897  0.34389265  0.91683914  1.0
  O  O12  1  0.32018888  0.25863564  0.57133672  1.0
  O  O13  1  0.82018888  0.74136436  0.92866328  1.0
  O  O14  1  0.67981112  0.74136436  0.42866328  1.0
  O  O15  1  0.17981112  0.25863564  0.07133672  1.0
  O  O16  1  0.32450620  0.14456059  0.36135244  1.0
  O  O17  1  0.82450620  0.85543941  0.13864756  1.0
  O  O18  1  0.67549380  0.85543941  0.63864756  1.0
  O  O19  1  0.17549380  0.14456059  0.86135244  1.0
  O  O20  1  0.26008094  0.66674746  0.31142594  1.0
  O  O21  1  0.76008094  0.33325254  0.18857406  1.0
  O  O22  1  0.73991906  0.33325254  0.68857406  1.0
  O  O23  1  0.23991906  0.66674746  0.81142594  1.0
  O  O24  1  0.00831618  0.72079859  0.56583750  1.0
  O  O25  1  0.50831618  0.27920141  0.93416250  1.0
  O  O26  1  0.99168382  0.27920141  0.43416250  1.0
  O  O27  1  0.49168382  0.72079859  0.06583750  1.0