data_[Zn4S4Cl4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7929]
_cell_length_b [5.6407]
_cell_length_c [7.9163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8505]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnSClO4]
_chemical_formula_sum '[Zn4 S4 Cl4 O16]'
_cell_volume [429.4713]
_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  0.1996  0.5000  0.7131  1.0
  S  S1  4  0.1312  0.5000  0.2659  1.0
  Cl  Cl2  4  0.0193  0.0000  0.6268  1.0
  O  O3  8  0.1914  0.2861  0.1965  1.0
  O  O4  4  0.0217  0.5000  0.7996  1.0
  O  O5  4  0.1626  0.5000  0.4567  1.0
]