data_[Hf12Pa3Cd3N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Pa  1.5000  1.8000  1.0400
  Cd  1.6900  1.5500  1.0900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.5323]
_cell_length_b [6.5323]
_cell_length_c [15.9791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Hf4PaCdN8]
_chemical_formula_sum '[Hf12 Pa3 Cd3 N24]'
_cell_volume [590.4861]
_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  9  0.0033  0.5016  0.5011  1
  Hf  Hf1  3  0.0000  0.0000  0.6232  1
  Pa  Pa2  3  0.0000  0.0000  0.3754  1
  Cd  Cd3  3  0.0000  0.0000  0.9990  1
  N  N4  9  0.0157  0.5078  0.7611  1
  N  N5  9  0.1685  0.3369  0.5733  1
  N  N6  3  0.0000  0.0000  0.2389  1
  N  N7  3  0.0000  0.0000  0.7568  1
]