data_[Hf4H4Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.9549]
_cell_length_b [8.1338]
_cell_length_c [7.9212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [HfHRh3]
_chemical_formula_sum '[Hf4 H4 Rh12]'
_cell_volume [254.8117]
_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  0.2378  0.2982  1.0
  H  H1  2  0.0000  0.0000  0.7860  1.0
  H  H2  2  0.5000  0.0000  0.0479  1.0
  Rh  Rh3  4  0.5000  0.2479  0.5475  1.0
  Rh  Rh4  2  0.0000  0.0000  0.0454  1.0
  Rh  Rh5  2  0.0000  0.0000  0.5483  1.0
  Rh  Rh6  2  0.5000  0.0000  0.2996  1.0
  Rh  Rh7  2  0.5000  0.0000  0.7956  1.0
]