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 [16.6262]
_cell_length_b [4.9662]
_cell_length_c [5.8176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8514]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8RuPb2]
_chemical_formula_sum '[Hf16 Ru2 Pb4]'
_cell_volume [479.7564]
_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  0.0385  0.0000  0.2610  1.0
  Hf  Hf1  4  0.0841  0.5000  0.5784  1.0
  Hf  Hf2  4  0.1502  0.5000  0.1101  1.0
  Hf  Hf3  4  0.2294  0.0000  0.3427  1.0
  Ru  Ru4  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb5  4  0.1620  0.0000  0.8124  1.0
]