# generated using pymatgen
data_BaBr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56658318
_cell_length_b   7.56658318
_cell_length_c   8.97557943
_cell_angle_alpha   57.42903899
_cell_angle_beta   57.42903899
_cell_angle_gamma   65.80673423
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBr2O7
_chemical_formula_sum   'Ba2 Br4 O14'
_cell_volume   359.70302112
_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
  Ba  Ba0  1  0.34881300  0.65118700  0.25000000  1.0
  Ba  Ba1  1  0.65118700  0.34881300  0.75000000  1.0
  Br  Br2  1  0.78566000  0.83134200  0.19499100  1.0
  Br  Br3  1  0.83134200  0.78566000  0.69499000  1.0
  Br  Br4  1  0.21434000  0.16865800  0.80500900  1.0
  Br  Br5  1  0.16865800  0.21434000  0.30500900  1.0
  O  O6  1  0.71478700  0.90145900  0.01853200  1.0
  O  O7  1  0.90145900  0.71478700  0.51853200  1.0
  O  O8  1  0.28521300  0.09854100  0.98146800  1.0
  O  O9  1  0.09854100  0.28521300  0.48146800  1.0
  O  O10  1  0.05002800  0.74458700  0.10860100  1.0
  O  O11  1  0.74458700  0.05002800  0.60860100  1.0
  O  O12  1  0.94997200  0.25541300  0.89139900  1.0
  O  O13  1  0.25541300  0.94997200  0.39139900  1.0
  O  O14  1  0.67536100  0.60943800  0.36731100  1.0
  O  O15  1  0.60943800  0.67536100  0.86731100  1.0
  O  O16  1  0.32463900  0.39056200  0.63268900  1.0
  O  O17  1  0.39056200  0.32463900  0.13268900  1.0
  O  O18  1  0.70340400  0.29659600  0.25000000  1.0
  O  O19  1  0.29659600  0.70340400  0.75000000  1.0