data_[Ce16Sc4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sc  1.3600  1.6000  0.8850
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.2436]
_cell_length_b [18.2636]
_cell_length_c [5.3783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce4ScPb]
_chemical_formula_sum '[Ce16 Sc4 Pb4]'
_cell_volume [613.0895]
_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
[
  Ce  Ce0  8  0.2265  0.0441  0.7860  1
  Ce  Ce1  8  0.2300  0.3818  0.7514  1
  Sc  Sc2  4  0.0000  0.2103  0.7500  1
  Pb  Pb3  4  0.0000  0.2915  0.2500  1
]