data_[Sr4Br8O24]
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 [Cc]
_cell_length_a [7.7315]
_cell_length_b [12.1607]
_cell_length_c [7.5392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Sr(BrO3)2]
_chemical_formula_sum '[Sr4 Br8 O24]'
_cell_volume [612.0624]
_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
[
  Sr  Sr0  4  0.4971  0.1239  0.9964  1.0
  Br  Br1  4  0.4058  0.1835  0.4530  1.0
  Br  Br2  4  0.4600  0.4338  0.0287  1.0
  O  O3  4  0.1093  0.1266  0.7574  1.0
  O  O4  4  0.1839  0.2325  0.4069  1.0
  O  O5  4  0.2993  0.3302  0.8918  1.0
  O  O6  4  0.3224  0.4772  0.5759  1.0
  O  O7  4  0.3488  0.1161  0.2360  1.0
  O  O8  4  0.4522  0.0788  0.6202  1.0
]