data_[Hf5Zn4Rh1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zn  1.6500  1.3500  0.8800
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3196]
_cell_length_b [3.3196]
_cell_length_c [16.2497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Hf5Zn4Rh]
_chemical_formula_sum '[Hf5 Zn4 Rh1]'
_cell_volume [179.0667]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.0968  1.0
  Hf  Hf1  2  0.5000  0.5000  0.2983  1.0
  Hf  Hf2  1  0.5000  0.5000  0.5000  1.0
  Zn  Zn3  2  0.0000  0.0000  0.1987  1.0
  Zn  Zn4  2  0.0000  0.0000  0.3993  1.0
  Rh  Rh5  1  0.0000  0.0000  0.0000  1.0
]