data_[Lu16Sc8Fe12C12]
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
  Fe  1.8300  1.4000  0.8525
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4097]
_cell_length_b [5.9004]
_cell_length_c [14.1723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9673]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu4Sc2(FeC)3]
_chemical_formula_sum '[Lu16 Sc8 Fe12 C12]'
_cell_volume [844.7429]
_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  0.1139  0.0912  0.0944  1
  Lu  Lu1  8  0.2172  0.0881  0.4046  1
  Sc  Sc2  8  0.0533  0.4239  0.9084  1
  Fe  Fe3  8  0.1875  0.4404  0.2510  1
  Fe  Fe4  4  0.0000  0.2691  0.2500  1
  C  C5  8  0.0812  0.2567  0.5035  1
  C  C6  4  0.2500  0.2500  0.0000  1
]