data_[Lu8Hf16Fe12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Hf  1.3000  1.5500  0.8500
  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 [9.7642]
_cell_length_b [5.6388]
_cell_length_c [14.0618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5313]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu2Hf4(FeC)3]
_chemical_formula_sum '[Lu8 Hf16 Fe12 C12]'
_cell_volume [749.4493]
_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  0.0402  0.4170  0.3806  1
  Hf  Hf1  8  0.1150  0.0896  0.5908  1
  Hf  Hf2  8  0.2207  0.0808  0.9094  1
  Fe  Fe3  8  0.2448  0.3396  0.7496  1
  Fe  Fe4  4  0.0000  0.0853  0.7500  1
  C  C5  8  0.0856  0.2436  0.0003  1
  C  C6  4  0.2500  0.2500  0.5000  1
]