data_[Lu16Sc8Cd12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  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 [10.4070]
_cell_length_b [6.0002]
_cell_length_c [16.5746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu4Sc2(CdC)3]
_chemical_formula_sum '[Lu16 Sc8 Cd12 C12]'
_cell_volume [1013.0193]
_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
[
  Lu  Lu0  8  0.1094  0.0830  0.5796  1
  Lu  Lu1  8  0.2236  0.0839  0.9204  1
  Sc  Sc2  8  0.0581  0.4174  0.4229  1
  Cd  Cd3  8  0.2306  0.3551  0.7500  1
  Cd  Cd4  4  0.0000  0.0518  0.7500  1
  C  C5  8  0.0801  0.2597  0.0002  1
  C  C6  4  0.2500  0.2500  0.5000  1
]