data_[Sc24Cd8C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2463]
_cell_length_b [13.4764]
_cell_length_c [6.1655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5152]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc3CdC]
_chemical_formula_sum '[Sc24 Cd8 C8]'
_cell_volume [792.0270]
_cell_formula_units_Z [8]
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
[
  Sc  Sc0  8  0.0686  0.4033  0.5193  1
  Sc  Sc1  8  0.1910  0.0302  0.0035  1
  Sc  Sc2  8  0.2161  0.2917  0.2301  1
  Cd  Cd3  4  0.0000  0.1495  0.2500  1
  Cd  Cd4  4  0.0000  0.2150  0.7500  1
  C  C5  8  0.1553  0.4487  0.2048  1
]