data_[Hf3Zr3Sb6Rh6]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.4677]
_cell_length_b [4.4677]
_cell_length_c [21.8916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [HfZr(SbRh)2]
_chemical_formula_sum '[Hf3 Zr3 Sb6 Rh6]'
_cell_volume [378.4304]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3332  1.0
  Zr  Zr1  3  0.0000  0.0000  0.8334  1.0
  Sb  Sb2  3  0.0000  0.0000  0.0831  1.0
  Sb  Sb3  3  0.0000  0.0000  0.5836  1.0
  Rh  Rh4  3  0.0000  0.0000  0.2091  1.0
  Rh  Rh5  3  0.0000  0.0000  0.7076  1.0
]