# generated using pymatgen
data_TiBrO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38439100
_cell_length_b   7.56566100
_cell_length_c   10.48944489
_cell_angle_alpha   76.45308007
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBrO
_chemical_formula_sum   'Ti4 Br4 O4'
_cell_volume   261.11143586
_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
  Ti  Ti0  1  0.00000000  0.31919800  0.73025500  1.0
  Ti  Ti1  1  0.00000000  0.68080200  0.26974500  1.0
  Ti  Ti2  1  0.00000000  0.89055700  0.90328300  1.0
  Ti  Ti3  1  0.00000000  0.10944300  0.09671700  1.0
  Br  Br4  1  0.00000000  0.97151100  0.34579800  1.0
  Br  Br5  1  0.00000000  0.59088400  0.83471500  1.0
  Br  Br6  1  0.00000000  0.40911600  0.16528500  1.0
  Br  Br7  1  0.00000000  0.02848900  0.65420200  1.0
  O  O8  1  0.00000000  0.85192400  0.09055800  1.0
  O  O9  1  0.00000000  0.54374100  0.43700900  1.0
  O  O10  1  0.00000000  0.45625900  0.56299100  1.0
  O  O11  1  0.00000000  0.14807600  0.90944200  1.0