data_[Zn4In4Cl12]
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 [P2_1/c]
_cell_length_a [8.2405]
_cell_length_b [8.4407]
_cell_length_c [12.9605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8633]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ZnInCl3]
_chemical_formula_sum '[Zn4 In4 Cl12]'
_cell_volume [757.2137]
_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  0.0678  0.1640  0.5761  1.0
  In  In1  4  0.2456  0.5755  0.7233  1.0
  Cl  Cl2  4  0.0389  0.0790  0.3925  1.0
  Cl  Cl3  4  0.1451  0.6397  0.4649  1.0
  Cl  Cl4  4  0.3705  0.2351  0.7235  1.0
]