data_[Hf6Zr4Sb4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Sb  2.0500  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2508]
_cell_length_b [4.2508]
_cell_length_c [19.5082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Hf3Zr2(SbC)2]
_chemical_formula_sum '[Hf6 Zr4 Sb4 C4]'
_cell_volume [352.5029]
_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  4  0.0000  0.5000  0.2500  1
  Hf  Hf1  2  0.0000  0.0000  0.0000  1
  Zr  Zr2  4  0.0000  0.0000  0.4281  1
  Sb  Sb3  4  0.0000  0.0000  0.1475  1
  C  C4  4  0.0000  0.5000  0.0000  1
]