# generated using pymatgen
data_Ba3Ti3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79512938
_cell_length_b   5.79512938
_cell_length_c   7.04239435
_cell_angle_alpha   88.51643107
_cell_angle_beta   88.51643107
_cell_angle_gamma   58.79986916
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Ti3O8
_chemical_formula_sum   'Ba3 Ti3 O8'
_cell_volume   202.21122449
_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  0.66547100  0.66547100  0.16731100  1.0
  Ba  Ba1  1  0.33452900  0.33452900  0.83268900  1.0
  Ba  Ba2  1  0.00000000  0.00000000  0.50000000  1.0
  Ti  Ti3  1  0.68231300  0.68231300  0.68403200  1.0
  Ti  Ti4  1  0.31768700  0.31768700  0.31596800  1.0
  Ti  Ti5  1  0.00000000  0.00000000  0.00000000  1.0
  O  O6  1  0.66472600  0.17244500  0.17286900  1.0
  O  O7  1  0.50000000  0.00000000  0.50000000  1.0
  O  O8  1  0.17244500  0.66472600  0.17286900  1.0
  O  O9  1  0.00000000  0.50000000  0.50000000  1.0
  O  O10  1  0.33527400  0.82755500  0.82713100  1.0
  O  O11  1  0.16644300  0.16644300  0.16139700  1.0
  O  O12  1  0.82755500  0.33527400  0.82713100  1.0
  O  O13  1  0.83355700  0.83355700  0.83860300  1.0