data_[Sn1Au2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.1909]
_cell_length_b [9.4606]
_cell_length_c [18.6221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Sn(AuBr2)2]
_chemical_formula_sum '[Sn1 Au2 Br4]'
_cell_volume [738.3282]
_cell_formula_units_Z [1]
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  1  0.0556  0.0000  0.4901  1
  Au  Au1  2  0.2383  0.3446  0.5026  1
  Br  Br2  2  0.4528  0.2041  0.4041  1
  Br  Br3  1  0.0346  0.5000  0.5986  1
  Br  Br4  1  0.5000  0.0000  0.5978  1
]