data_[Hf14Sb4C4]
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/m]
_cell_length_a [7.0647]
_cell_length_b [10.1726]
_cell_length_c [7.2088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf7(SbC)2]
_chemical_formula_sum '[Hf14 Sb4 C4]'
_cell_volume [507.1362]
_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  8  0.2049  0.2897  0.1822  1
  Hf  Hf1  4  0.0880  0.5000  0.8165  1
  Hf  Hf2  2  0.0000  0.0000  0.0000  1
  Sb  Sb3  4  0.0000  0.3061  0.5000  1
  C  C4  4  0.2166  0.5000  0.1258  1
]