data_[Hf4Zr8Sb8]
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
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.8630]
_cell_length_b [15.8584]
_cell_length_c [5.9045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Hf(ZrSb)2]
_chemical_formula_sum '[Hf4 Zr8 Sb8]'
_cell_volume [455.3496]
_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  0.0000  0.3725  0.4488  1.0
  Zr  Zr1  4  0.0000  0.0275  0.1825  1.0
  Zr  Zr2  4  0.0000  0.1676  0.6309  1.0
  Sb  Sb3  4  0.0000  0.2147  0.1297  1.0
  Sb  Sb4  4  0.0000  0.4376  0.9737  1.0
]