data_[Zn4I2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.8080]
_cell_length_b [4.0002]
_cell_length_c [7.0090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7180]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zn2ICl]
_chemical_formula_sum '[Zn4 I2 Cl2]'
_cell_volume [270.6757]
_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  2  0.2361  0.0000  0.7803  1
  Zn  Zn1  2  0.4976  0.5000  0.6926  1
  I  I2  2  0.3193  0.0000  0.4436  1
  Cl  Cl3  2  0.3942  0.5000  0.9480  1
]