data_[Hf2Cd1Rh3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cd  1.6900  1.5500  1.0900
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.3948]
_cell_length_b [3.3948]
_cell_length_c [9.1251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Hf2CdRh3]
_chemical_formula_sum '[Hf2 Cd1 Rh3]'
_cell_volume [105.1640]
_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  1  0.0000  0.0000  0.5134  1
  Hf  Hf1  1  0.5000  0.5000  0.9658  1
  Cd  Cd2  1  0.0000  0.0000  0.1756  1
  Rh  Rh3  1  0.0000  0.0000  0.8490  1
  Rh  Rh4  1  0.5000  0.5000  0.3395  1
  Rh  Rh5  1  0.5000  0.5000  0.6567  1
]