data_[Sr2Br2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.0294]
_cell_length_b [6.5540]
_cell_length_c [6.6907]
_cell_angle_alpha [88.0506]
_cell_angle_beta [73.6654]
_cell_angle_gamma [85.6172]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SrBrO3]
_chemical_formula_sum '[Sr2 Br2 O6]'
_cell_volume [169.0486]
_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
[
  Sr  Sr0  1  0.1194  0.2014  0.4009  1
  Sr  Sr1  1  0.2095  0.9012  0.9233  1
  Br  Br2  1  0.6459  0.7102  0.3618  1
  Br  Br3  1  0.7259  0.3403  0.9339  1
  O  O4  1  0.1210  0.3048  0.0045  1
  O  O5  1  0.2698  0.8106  0.5399  1
  O  O6  1  0.5555  0.4475  0.4371  1
  O  O7  1  0.5997  0.6760  0.1031  1
  O  O8  1  0.7428  0.9883  0.2613  1
  O  O9  1  0.7742  0.1119  0.7779  1
]