data_[Ba4Sr4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2611]
_cell_length_b [13.7677]
_cell_length_c [8.0892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.3741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaSrBr4]
_chemical_formula_sum '[Ba4 Sr4 Br16]'
_cell_volume [895.9086]
_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
[
  Ba  Ba0  4  0.0000  0.0288  0.7500  1.0
  Sr  Sr1  4  0.0000  0.3687  0.2500  1.0
  Br  Br2  8  0.1233  0.1794  0.5532  1.0
  Br  Br3  8  0.1877  0.5568  0.2354  1.0
]