data_[Hf16Sc8In12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9880]
_cell_length_b [5.7700]
_cell_length_c [15.3881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5795]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4Sc2(InC)3]
_chemical_formula_sum '[Hf16 Sc8 In12 C12]'
_cell_volume [865.5419]
_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
[
  Hf  Hf0  8  0.1101  0.0882  0.0802  1
  Hf  Hf1  8  0.2255  0.0811  0.4197  1
  Sc  Sc2  8  0.0527  0.4188  0.9157  1
  In  In3  8  0.1738  0.5896  0.7510  1
  In  In4  4  0.0000  0.0687  0.7500  1
  C  C5  8  0.0857  0.2429  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]