data_[Zn2Sn2I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7195]
_cell_length_b [4.2932]
_cell_length_c [16.7106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ZnSnI4]
_chemical_formula_sum '[Zn2 Sn2 I8]'
_cell_volume [495.5167]
_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  0.0000  0.0000  0.0000  1
  Sn  Sn1  2  0.5000  0.0000  0.5000  1
  I  I2  4  0.1824  0.5002  0.3824  1
  I  I3  4  0.2531  0.5156  0.1107  1
]