data_[Ce2Pu2Pa2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pu  1.2800  1.7500  0.9675
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0341]
_cell_length_b [3.4621]
_cell_length_c [8.6547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CePuPaN3]
_chemical_formula_sum '[Ce2 Pu2 Pa2 N6]'
_cell_volume [206.4946]
_cell_formula_units_Z [2]
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
[
  Ce  Ce0  2  0.1658  0.7500  0.1749  1
  Pu  Pu1  2  0.1107  0.7500  0.5249  1
  Pa  Pa2  2  0.3319  0.2500  0.8519  1
  N  N3  2  0.1265  0.7500  0.8858  1
  N  N4  2  0.2055  0.2500  0.3924  1
  N  N5  2  0.4294  0.2500  0.1099  1
]