data_[Sr16Bi8Br8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4819]
_cell_length_b [19.0323]
_cell_length_c [8.2789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr2BiBr]
_chemical_formula_sum '[Sr16 Bi8 Br8]'
_cell_volume [1232.8609]
_cell_formula_units_Z [8]
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  8  0.2420  0.4384  0.7327  1
  Sr  Sr1  8  0.2438  0.3128  0.2662  1
  Bi  Bi2  4  0.0000  0.1831  0.2500  1
  Bi  Bi3  4  0.0000  0.4414  0.2500  1
  Br  Br4  4  0.0000  0.0684  0.7500  1
  Br  Br5  4  0.0000  0.3058  0.7500  1
]