data_[La8Pu4Ta4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pu  1.2800  1.7500  0.9675
  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 [3.5694]
_cell_length_b [14.1592]
_cell_length_c [10.8558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2PuTaN5]
_chemical_formula_sum '[La8 Pu4 Ta4 N20]'
_cell_volume [548.6552]
_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
[
  La  La0  4  0.0000  0.1066  0.6907  1
  La  La1  4  0.0000  0.1445  0.2903  1
  Pu  Pu2  4  0.0000  0.2127  0.0095  1
  Ta  Ta3  4  0.0000  0.4836  0.4624  1
  N  N4  4  0.0000  0.0494  0.0385  1
  N  N5  4  0.0000  0.2778  0.6466  1
  N  N6  4  0.0000  0.3164  0.3873  1
  N  N7  4  0.0000  0.3806  0.0111  1
  N  N8  4  0.0000  0.4893  0.7875  1
]