data_[Hf4Hg2Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Hg  2.0000  1.5000  1.2450
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.5993]
_cell_length_b [7.5993]
_cell_length_c [3.2196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Hf2HgRh2]
_chemical_formula_sum '[Hf4 Hg2 Rh4]'
_cell_volume [185.9302]
_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  0.1615  0.3385  0.5000  1.0
  Hg  Hg1  2  0.0000  0.0000  0.0000  1.0
  Rh  Rh2  4  0.1343  0.6343  0.0000  1.0
]