data_[Hf2In4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1482]
_cell_length_b [8.2506]
_cell_length_c [12.0741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf(InCl3)2]
_chemical_formula_sum '[Hf2 In4 Cl12]'
_cell_volume [586.3188]
_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  0.5000  0.0000  0.5000  1.0
  In  In1  4  0.2259  0.0974  0.7428  1.0
  Cl  Cl2  4  0.1757  0.1579  0.4642  1.0
  Cl  Cl3  4  0.2834  0.7470  0.4505  1.0
  Cl  Cl4  4  0.3471  0.0299  0.2595  1.0
]