# generated using pymatgen
data_TiBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68660170
_cell_length_b   5.68660170
_cell_length_c   5.68660124
_cell_angle_alpha   48.84993591
_cell_angle_beta   48.84993591
_cell_angle_gamma   48.84993889
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBO3
_chemical_formula_sum   'Ti2 B2 O6'
_cell_volume   95.70124590
_cell_formula_units_Z   2
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
  Ti  Ti0  1  0.50000000  0.50000000  0.50000000  1.0
  Ti  Ti1  1  0.00000000  0.00000000  0.00000000  1.0
  B  B2  1  0.75000000  0.75000000  0.75000000  1.0
  B  B3  1  0.25000000  0.25000000  0.25000000  1.0
  O  O4  1  0.04526800  0.45473200  0.75000000  1.0
  O  O5  1  0.45473200  0.75000000  0.04526800  1.0
  O  O6  1  0.25000000  0.95473200  0.54526800  1.0
  O  O7  1  0.95473200  0.54526800  0.25000000  1.0
  O  O8  1  0.54526800  0.25000000  0.95473200  1.0
  O  O9  1  0.75000000  0.04526800  0.45473200  1.0