data_[Zn1In2Sn1Cl6]
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
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.3600]
_cell_length_b [7.5831]
_cell_length_c [7.7561]
_cell_angle_alpha [63.7813]
_cell_angle_beta [61.6886]
_cell_angle_gamma [77.1702]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ZnIn2SnCl6]
_chemical_formula_sum '[Zn1 In2 Sn1 Cl6]'
_cell_volume [341.8522]
_cell_formula_units_Z [1]
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  1  0.1399  0.2211  0.3058  1.0
  In  In1  1  0.4487  0.4515  0.5353  1.0
  In  In2  1  0.8807  0.1031  0.9831  1.0
  Sn  Sn3  1  0.5348  0.7808  0.8425  1.0
  Cl  Cl4  1  0.2085  0.5506  0.1820  1.0
  Cl  Cl5  1  0.2399  0.0645  0.5760  1.0
  Cl  Cl6  1  0.2948  0.1183  0.0304  1.0
  Cl  Cl7  1  0.7351  0.5105  0.7016  1.0
  Cl  Cl8  1  0.7393  0.7024  0.0588  1.0
  Cl  Cl9  1  0.7934  0.1587  0.4461  1.0
]