data_[Sr2Bi6Br6O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.9981]
_cell_length_b [3.9981]
_cell_length_c [30.7898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [SrBi3Br3O4]
_chemical_formula_sum '[Sr2 Bi6 Br6 O8]'
_cell_volume [492.1639]
_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  2  0.0000  0.0000  0.3412  1.0
  Bi  Bi1  2  0.0000  0.0000  0.0724  1.0
  Bi  Bi2  2  0.0000  0.0000  0.6535  1.0
  Bi  Bi3  2  0.0000  0.0000  0.9221  1.0
  Br  Br4  2  0.0000  0.0000  0.2006  1.0
  Br  Br5  2  0.0000  0.0000  0.5170  1.0
  Br  Br6  2  0.0000  0.0000  0.7896  1.0
  O  O7  4  0.0000  0.5000  0.1113  1.0
  O  O8  4  0.0000  0.5000  0.3905  1.0
]