data_[Ba3Sr3Bi3Br3]
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 [R3m]
_cell_length_a [4.9959]
_cell_length_b [4.9959]
_cell_length_c [23.2556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaSrBiBr]
_chemical_formula_sum '[Ba3 Sr3 Bi3 Br3]'
_cell_volume [502.6657]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.9386  1.0
  Sr  Sr1  3  0.0000  0.0000  0.4511  1.0
  Bi  Bi2  3  0.0000  0.0000  0.1896  1.0
  Br  Br3  3  0.0000  0.0000  0.6972  1.0
]