data_[Hf4Pa8Au4N20]
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
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7362]
_cell_length_b [11.9898]
_cell_length_c [11.7195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [HfPa2AuN5]
_chemical_formula_sum '[Hf4 Pa8 Au4 N20]'
_cell_volume [524.9876]
_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  0.2175  0.9526  1
  Pa  Pa1  4  0.0000  0.1051  0.6243  1
  Pa  Pa2  4  0.0000  0.1548  0.2458  1
  Au  Au3  4  0.0000  0.4790  0.4062  1
  N  N4  4  0.0000  0.0654  0.0427  1
  N  N5  4  0.0000  0.1959  0.4400  1
  N  N6  4  0.0000  0.2391  0.7697  1
  N  N7  4  0.0000  0.2971  0.1122  1
  N  N8  4  0.0000  0.4774  0.7306  1
]