data_[Zn4Br2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3820]
_cell_length_b [20.2070]
_cell_length_c [5.4862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn2BrCl8]
_chemical_formula_sum '[Zn4 Br2 Cl16]'
_cell_volume [707.4979]
_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
[
  Zn  Zn0  4  0.0000  0.2502  0.0000  1
  Br  Br1  2  0.0000  0.0000  0.5000  1
  Cl  Cl2  8  0.2496  0.8354  0.9975  1
  Cl  Cl3  4  0.0000  0.2497  0.5000  1
  Cl  Cl4  4  0.1812  0.5000  0.6977  1
]