data_[Hf1In2Pb1Cl8]
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
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8995]
_cell_length_b [8.3812]
_cell_length_c [7.1556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [HfIn2PbCl8]
_chemical_formula_sum '[Hf1 In2 Pb1 Cl8]'
_cell_volume [413.3102]
_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
[
  Hf  Hf0  1  0.0000  0.0000  0.0000  1
  In  In1  2  0.5000  0.2434  0.5000  1
  Pb  Pb2  1  0.0000  0.5000  0.0000  1
  Cl  Cl3  4  0.2179  0.2132  0.8851  1
  Cl  Cl4  2  0.1756  0.0000  0.3005  1
  Cl  Cl5  2  0.2615  0.5000  0.3254  1
]