# generated using pymatgen
data_BaBr2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24657000
_cell_length_b   8.96117800
_cell_length_c   11.32114500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBr2O
_chemical_formula_sum   'Ba4 Br8 O4'
_cell_volume   532.26870019
_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  0.25000000  0.38369600  0.69243200  1.0
  Ba  Ba1  1  0.25000000  0.11630400  0.19243200  1.0
  Ba  Ba2  1  0.75000000  0.61630400  0.30756800  1.0
  Ba  Ba3  1  0.75000000  0.88369600  0.80756800  1.0
  Br  Br4  1  0.25000000  0.39599000  0.38887700  1.0
  Br  Br5  1  0.25000000  0.10401000  0.88887700  1.0
  Br  Br6  1  0.75000000  0.60401000  0.61112300  1.0
  Br  Br7  1  0.75000000  0.89599000  0.11112300  1.0
  Br  Br8  1  0.25000000  0.83650200  0.39477900  1.0
  Br  Br9  1  0.25000000  0.66349800  0.89477900  1.0
  Br  Br10  1  0.75000000  0.16349800  0.60522100  1.0
  Br  Br11  1  0.75000000  0.33650200  0.10522100  1.0
  O  O12  1  0.25000000  0.87606900  0.74355900  1.0
  O  O13  1  0.25000000  0.62393100  0.24355900  1.0
  O  O14  1  0.75000000  0.12393100  0.25644100  1.0
  O  O15  1  0.75000000  0.37606900  0.75644100  1.0