data_[Y8Sc16Pb12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [10.4786]
_cell_length_b [6.0512]
_cell_length_c [15.7818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2Sc4(PbC)3]
_chemical_formula_sum '[Y8 Sc16 Pb12 C12]'
_cell_volume [975.9563]
_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
[
  Y  Y0  8  0.0526  0.4175  0.4104  1
  Sc  Sc1  8  0.1088  0.0848  0.5764  1
  Sc  Sc2  8  0.2252  0.0825  0.9236  1
  Pb  Pb3  8  0.1815  0.4019  0.7502  1
  Pb  Pb4  4  0.0000  0.0543  0.2500  1
  C  C5  8  0.0864  0.2407  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]