data_[Hf4Np8Ta4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Np  1.3600  1.7500  1.0000
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3311]
_cell_length_b [13.4290]
_cell_length_c [10.3843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [HfNp2TaN5]
_chemical_formula_sum '[Hf4 Np8 Ta4 N20]'
_cell_volume [464.5163]
_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  0.2186  0.0058  1
  Np  Np1  4  0.0000  0.1103  0.6945  1
  Np  Np2  4  0.0000  0.1444  0.2868  1
  Ta  Ta3  4  0.0000  0.4762  0.4640  1
  N  N4  4  0.0000  0.0559  0.0619  1
  N  N5  4  0.0000  0.2767  0.6564  1
  N  N6  4  0.0000  0.3190  0.3743  1
  N  N7  4  0.0000  0.3754  0.0034  1
  N  N8  4  0.0000  0.4888  0.7769  1
]