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 [Cc]
_cell_length_a [10.2961]
_cell_length_b [8.7153]
_cell_length_c [7.2844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5440]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [ZnInCl3]
_chemical_formula_sum '[Zn4 In4 Cl12]'
_cell_volume [626.6019]
_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  0.4908  0.4247  0.8956  1.0
  In  In1  4  0.3847  0.1411  0.4019  1.0
  Cl  Cl2  4  0.0247  0.3278  0.3597  1.0
  Cl  Cl3  4  0.1804  0.0722  0.9861  1.0
  Cl  Cl4  4  0.3576  0.4752  0.1002  1.0
]