data_[Hf12Cd4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cd  1.6900  1.5500  1.0900
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5403]
_cell_length_b [4.6658]
_cell_length_c [8.2473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3CdC]
_chemical_formula_sum '[Hf12 Cd4 C4]'
_cell_volume [369.6151]
_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  4  0.1122  0.0000  0.1918  1.0
  Hf  Hf1  4  0.1410  0.5000  0.9359  1.0
  Hf  Hf2  4  0.1429  0.0000  0.6728  1.0
  Cd  Cd3  4  0.1106  0.5000  0.4353  1.0
  C  C4  4  0.1193  0.0000  0.9243  1.0
]