data_[Hf16Ru2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ru  2.2000  1.3000  0.6610
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5945]
_cell_length_b [4.9650]
_cell_length_c [5.8182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4669]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8RuPb2]
_chemical_formula_sum '[Hf16 Ru2 Pb4]'
_cell_volume [478.9245]
_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  4  0.0383  0.0000  0.2610  1
  Hf  Hf1  4  0.0841  0.5000  0.5773  1
  Hf  Hf2  4  0.1502  0.5000  0.1095  1
  Hf  Hf3  4  0.2292  0.0000  0.3420  1
  Ru  Ru4  2  0.0000  0.5000  0.0000  1
  Pb  Pb5  4  0.1620  0.0000  0.8122  1
]