data_[Hf20Sb4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sb  2.0500  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3378]
_cell_length_b [7.4731]
_cell_length_c [8.4163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf5SbC]
_chemical_formula_sum '[Hf20 Sb4 C4]'
_cell_volume [615.6268]
_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  0.1000  0.2596  0.9673  1
  Hf  Hf1  8  0.2068  0.1224  0.6424  1
  Hf  Hf2  4  0.0000  0.0753  0.2500  1
  Sb  Sb3  4  0.0000  0.4455  0.2500  1
  C  C4  4  0.0000  0.0000  0.0000  1
]