data_[Sn4Br9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.4807]
_cell_length_b [9.8817]
_cell_length_c [19.1975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [110.5365]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sn4Br9]
_chemical_formula_sum '[Sn4 Br9]'
_cell_volume [1506.5871]
_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  0.0283  0.0580  0.5233  1
  Sn  Sn1  1  0.3708  0.9122  0.4508  1
  Sn  Sn2  1  0.5230  0.5344  0.5186  1
  Sn  Sn3  1  0.9912  0.4947  0.5086  1
  Br  Br4  1  0.0725  0.9497  0.3946  1
  Br  Br5  1  0.1517  0.3868  0.6045  1
  Br  Br6  1  0.1689  0.7923  0.5642  1
  Br  Br7  1  0.2526  0.5871  0.4085  1
  Br  Br8  1  0.3997  0.1805  0.5169  1
  Br  Br9  1  0.6518  0.8410  0.5377  1
  Br  Br10  1  0.7550  0.4871  0.6133  1
  Br  Br11  1  0.7583  0.5531  0.4144  1
  Br  Br12  1  0.8762  0.2233  0.4446  1
]