# generated using pymatgen
data_Ba3Re2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.70911753
_cell_length_b   7.70911753
_cell_length_c   7.70911656
_cell_angle_alpha   43.77988172
_cell_angle_beta   43.77988172
_cell_angle_gamma   43.77988500
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Re2O9
_chemical_formula_sum   'Ba3 Re2 O9'
_cell_volume   199.11542614
_cell_formula_units_Z   1
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  -0.00000000  -0.00000000  0.00000000  1.0
  Ba  Ba1  1  0.21148148  0.21148148  0.21148148  1.0
  Ba  Ba2  1  0.78851852  0.78851852  0.78851852  1.0
  Re  Re3  1  0.39186122  0.39186122  0.39186122  1.0
  Re  Re4  1  0.60813878  0.60813878  0.60813878  1.0
  O  O5  1  0.50000000  0.50000000  0.00000000  1.0
  O  O6  1  -0.00000000  0.50000000  0.50000000  1.0
  O  O7  1  0.50000000  -0.00000000  0.50000000  1.0
  O  O8  1  0.27922748  0.75381531  0.27922748  1.0
  O  O9  1  0.75381531  0.27922748  0.27922748  1.0
  O  O10  1  0.27922748  0.27922748  0.75381531  1.0
  O  O11  1  0.72077252  0.72077252  0.24618469  1.0
  O  O12  1  0.24618469  0.72077252  0.72077252  1.0
  O  O13  1  0.72077252  0.24618469  0.72077252  1.0