data_[Hf2Ti2Cd2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  Cd  1.6900  1.5500  1.0900
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.2016]
_cell_length_b [3.2016]
_cell_length_c [14.8460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [HfTiCdC]
_chemical_formula_sum '[Hf2 Ti2 Cd2 C2]'
_cell_volume [131.7855]
_cell_formula_units_Z [2]
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  2  0.3333  0.6667  0.4203  1
  Ti  Ti1  2  0.3333  0.6667  0.0789  1
  Cd  Cd2  2  0.3333  0.6667  0.7448  1
  C  C3  2  0.0000  0.0000  0.0060  1
]