# generated using pymatgen
data_TiBrO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41806500
_cell_length_b   11.04976439
_cell_length_c   11.16217347
_cell_angle_alpha   92.96845915
_cell_angle_beta   89.87286499
_cell_angle_gamma   92.92241849
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBrO
_chemical_formula_sum   'Ti8 Br8 O8'
_cell_volume   543.48247310
_cell_formula_units_Z   8
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  0.01196400  0.82249100  0.76228100  1.0
  Ti  Ti1  1  0.50206200  0.92041600  0.88396300  1.0
  Ti  Ti2  1  0.49684900  0.08220000  0.11501600  1.0
  Ti  Ti3  1  0.98989200  0.17145600  0.23962100  1.0
  Ti  Ti4  1  0.99980700  0.91039200  0.10818500  1.0
  Ti  Ti5  1  0.49975900  0.84262400  0.23455900  1.0
  Ti  Ti6  1  0.99752100  0.09032400  0.89352300  1.0
  Ti  Ti7  1  0.50250100  0.14902000  0.76178500  1.0
  Br  Br8  1  0.96886000  0.36029200  0.14416900  1.0
  Br  Br9  1  0.00115000  0.84952000  0.34613100  1.0
  Br  Br10  1  0.00203700  0.15176800  0.64939200  1.0
  Br  Br11  1  0.49338400  0.63491700  0.16023100  1.0
  Br  Br12  1  0.03464300  0.63598000  0.85922800  1.0
  Br  Br13  1  0.51124000  0.35953000  0.83468400  1.0
  Br  Br14  1  0.48719000  0.16362200  0.35037600  1.0
  Br  Br15  1  0.51490100  0.83935700  0.65058900  1.0
  O  O16  1  0.50462000  0.10207500  0.93055600  1.0
  O  O17  1  0.02186500  0.48536800  0.44802200  1.0
  O  O18  1  0.47545300  0.52133100  0.55482700  1.0
  O  O19  1  0.00534400  0.09004000  0.08068700  1.0
  O  O20  1  0.46951500  0.47816300  0.44998000  1.0
  O  O21  1  0.02774800  0.52849300  0.55336900  1.0
  O  O22  1  0.49147100  0.90008500  0.07089000  1.0
  O  O23  1  0.99022400  0.91053400  0.91793700  1.0