data_[Zn2In2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8876]
_cell_length_b [6.9857]
_cell_length_c [7.7576]
_cell_angle_alpha [114.5913]
_cell_angle_beta [103.8739]
_cell_angle_gamma [94.0575]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ZnInCl3]
_chemical_formula_sum '[Zn2 In2 Cl6]'
_cell_volume [323.2908]
_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  0.4657  0.2390  0.1236  1.0
  In  In1  2  0.1064  0.7287  0.3618  1.0
  Cl  Cl2  2  0.1541  0.3220  0.0618  1.0
  Cl  Cl3  2  0.2829  0.4990  0.6287  1.0
  Cl  Cl4  2  0.4565  0.9300  0.1782  1.0
]