data_[Hf16Sc8Pb12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sc  1.3600  1.6000  0.8850
  Pb  2.3300  1.8000  1.1225
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1506]
_cell_length_b [5.8596]
_cell_length_c [15.2030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4Sc2(PbC)3]
_chemical_formula_sum '[Hf16 Sc8 Pb12 C12]'
_cell_volume [881.2377]
_cell_formula_units_Z [4]
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  8  0.1099  0.0884  0.0795  1
  Hf  Hf1  8  0.2258  0.0810  0.4205  1
  Sc  Sc2  8  0.0529  0.4189  0.9173  1
  Pb  Pb3  8  0.1682  0.5832  0.7511  1
  Pb  Pb4  4  0.0000  0.0793  0.7500  1
  C  C5  8  0.0856  0.2433  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]