data_[Hf6Rh1N1]
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 [P-1]
_cell_length_a [5.0544]
_cell_length_b [5.6732]
_cell_length_c [5.8333]
_cell_angle_alpha [97.2760]
_cell_angle_beta [113.7069]
_cell_angle_gamma [91.6108]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hf6RhN]
_chemical_formula_sum '[Hf6 Rh1 N1]'
_cell_volume [151.3408]
_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  0.0598  0.7944  0.6579  1.0
  Hf  Hf1  2  0.2347  0.3284  0.9802  1.0
  Hf  Hf2  2  0.3929  0.8663  0.2552  1.0
  Rh  Rh3  1  0.5000  0.5000  0.5000  1.0
  N  N4  1  0.0000  0.0000  0.0000  1.0
]