data_[Hf6Sb2C2]
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 [Pmma]
_cell_length_a [4.6229]
_cell_length_b [4.3993]
_cell_length_c [9.2318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Hf3SbC]
_chemical_formula_sum '[Hf6 Sb2 C2]'
_cell_volume [187.7539]
_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  0.2500  0.0000  0.1190  1
  Hf  Hf1  2  0.2500  0.0000  0.6132  1
  Hf  Hf2  2  0.2500  0.5000  0.3721  1
  Sb  Sb3  2  0.2500  0.5000  0.8612  1
  C  C4  2  0.2500  0.0000  0.3641  1
]