data_[Zn4Sn4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4291]
_cell_length_b [6.8432]
_cell_length_c [18.5265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4654]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ZnSnBr4]
_chemical_formula_sum '[Zn4 Sn4 Br16]'
_cell_volume [814.8217]
_cell_formula_units_Z [4]
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
[
  Zn  Zn0  4  0.2413  0.0018  0.6174  1
  Sn  Sn1  4  0.2634  0.0180  0.8384  1
  Br  Br2  4  0.0062  0.6635  0.2042  1
  Br  Br3  4  0.0440  0.2435  0.0615  1
  Br  Br4  4  0.4607  0.7476  0.0654  1
  Br  Br5  4  0.4812  0.1544  0.7113  1
]