data_[Hf2In4I8Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1945]
_cell_length_b [8.2113]
_cell_length_c [7.3308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8822]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfIn2(I2Cl)2]
_chemical_formula_sum '[Hf2 In4 I8 Cl4]'
_cell_volume [746.8999]
_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
[
  Hf  Hf0  2  0.0000  0.0000  0.5000  1
  In  In1  4  0.2112  0.5000  0.7032  1
  I  I2  8  0.0839  0.2474  0.3113  1
  Cl  Cl3  4  0.1669  0.0000  0.7725  1
]