data_[Nd8Pu4As4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pu  1.2800  1.7500  0.9675
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5338]
_cell_length_b [14.2728]
_cell_length_c [10.4183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2PuAsN5]
_chemical_formula_sum '[Nd8 Pu4 As4 N20]'
_cell_volume [525.4761]
_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
[
  Nd  Nd0  4  0.0000  0.1108  0.6823  1
  Nd  Nd1  4  0.0000  0.1343  0.3230  1
  Pu  Pu2  4  0.0000  0.2018  0.0262  1
  As  As3  4  0.0000  0.4565  0.4393  1
  N  N4  4  0.0000  0.0352  0.0225  1
  N  N5  4  0.0000  0.2880  0.6615  1
  N  N6  4  0.0000  0.3254  0.3802  1
  N  N7  4  0.0000  0.3460  0.0080  1
  N  N8  4  0.0000  0.4909  0.7808  1
]