data_[Pu8Ta4Ga4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ta  1.5000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2212]
_cell_length_b [13.5854]
_cell_length_c [10.1202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pu2TaGaN5]
_chemical_formula_sum '[Pu8 Ta4 Ga4 N20]'
_cell_volume [442.8672]
_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
[
  Pu  Pu0  4  0.0000  0.1202  0.7059  1
  Pu  Pu1  4  0.0000  0.1299  0.2844  1
  Ta  Ta2  4  0.0000  0.2169  0.0020  1
  Ga  Ga3  4  0.0000  0.4900  0.4796  1
  N  N4  4  0.0000  0.0609  0.0526  1
  N  N5  4  0.0000  0.2855  0.6466  1
  N  N6  4  0.0000  0.3003  0.3641  1
  N  N7  4  0.0000  0.3634  0.0065  1
  N  N8  4  0.0000  0.4983  0.7824  1
]