data_[Ba4Sr8Bi6Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.8244]
_cell_length_b [5.8244]
_cell_length_c [27.0892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba2Sr4Bi3Br2]
_chemical_formula_sum '[Ba4 Sr8 Bi6 Br4]'
_cell_volume [918.9524]
_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  4  0.0000  0.0000  0.2954  1
  Sr  Sr1  8  0.0000  0.5000  0.0806  1
  Bi  Bi2  4  0.0000  0.0000  0.1659  1
  Bi  Bi3  2  0.0000  0.0000  0.0000  1
  Br  Br4  4  0.0000  0.0000  0.4265  1
]