data_[Sn2Bi4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3411]
_cell_length_b [7.7694]
_cell_length_c [8.9714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3871]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn(BiBr4)2]
_chemical_formula_sum '[Sn2 Bi4 Br16]'
_cell_volume [997.8560]
_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
[
  Sn  Sn0  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi1  4  0.1411  0.0000  0.3743  1.0
  Br  Br2  8  0.1376  0.2489  0.1568  1.0
  Br  Br3  4  0.0769  0.0000  0.6995  1.0
  Br  Br4  4  0.1738  0.5000  0.5632  1.0
]