data_[Hf24Rh3N18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Rh  2.2800  1.3500  0.7450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.8139]
_cell_length_b [8.8139]
_cell_length_c [10.1366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Hf8RhN6]
_chemical_formula_sum '[Hf24 Rh3 N18]'
_cell_volume [681.9596]
_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  18  0.0240  0.3021  0.5853  1
  Hf  Hf1  6  0.0000  0.0000  0.2534  1
  Rh  Rh2  3  0.0000  0.0000  0.0000  1
  N  N3  18  0.0006  0.8074  0.6149  1
]