data_[Sn6As2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.9202]
_cell_length_b [15.0831]
_cell_length_c [18.6134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sn3AsBr3]
_chemical_formula_sum '[Sn6 As2 Br6]'
_cell_volume [1942.8218]
_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  4  0.0549  0.1630  0.5837  1
  Sn  Sn1  2  0.0802  0.0000  0.4931  1
  As  As2  2  0.3276  0.5000  0.3896  1
  Br  Br3  4  0.2640  0.2759  0.4977  1
  Br  Br4  2  0.4905  0.0000  0.4546  1
]