data_[Sn2Br10]
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 [Amm2]
_cell_length_a [20.1194]
_cell_length_b [12.8748]
_cell_length_c [7.6113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [SnBr5]
_chemical_formula_sum '[Sn2 Br10]'
_cell_volume [1971.5803]
_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  0.5000  0.0000  0.9114  1
  Br  Br1  4  0.3728  0.0000  0.9899  1
  Br  Br2  4  0.5000  0.1631  0.7350  1
  Br  Br3  2  0.5000  0.0000  0.2525  1
]