data_[Hf3Sc1Cd2C2]
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
  Cd  1.6900  1.5500  1.0900
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2956]
_cell_length_b [3.2956]
_cell_length_c [15.2210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Hf3Sc(CdC)2]
_chemical_formula_sum '[Hf3 Sc1 Cd2 C2]'
_cell_volume [143.1703]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4192  1
  Hf  Hf1  1  0.3333  0.6667  0.5813  1
  Hf  Hf2  1  0.3333  0.6667  0.9190  1
  Sc  Sc3  1  0.0000  0.0000  0.0822  1
  Cd  Cd4  1  0.0000  0.0000  0.7498  1
  Cd  Cd5  1  0.3333  0.6667  0.2522  1
  C  C6  1  0.6667  0.3333  0.5002  1
  C  C7  1  0.6667  0.3333  0.9961  1
]