data_[Y8Sc16Cd12C12]
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
  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 [10.2829]
_cell_length_b [5.9330]
_cell_length_c [15.7411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2Sc4(CdC)3]
_chemical_formula_sum '[Y8 Sc16 Cd12 C12]'
_cell_volume [937.0441]
_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  0.0493  0.4176  0.9014  1
  Sc  Sc1  8  0.1083  0.0870  0.0741  1
  Sc  Sc2  8  0.2274  0.0820  0.4258  1
  Cd  Cd3  8  0.2449  0.3406  0.2503  1
  Cd  Cd4  4  0.0000  0.0763  0.2500  1
  C  C5  8  0.0848  0.2455  0.4999  1
  C  C6  4  0.2500  0.2500  0.0000  1
]