data_[Pm6Pu8N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pu  1.2800  1.7500  0.9675
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9492]
_cell_length_b [9.9601]
_cell_length_c [7.0314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.8513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm3Pu4N8]
_chemical_formula_sum '[Pm6 Pu8 N16]'
_cell_volume [493.9716]
_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
[
  Pm  Pm0  4  0.2500  0.2500  0.0000  1
  Pm  Pm1  2  0.0000  0.5000  0.5000  1
  Pu  Pu2  4  0.2500  0.2500  0.5000  1
  Pu  Pu3  2  0.0000  0.0000  0.0000  1
  Pu  Pu4  2  0.0000  0.0000  0.5000  1
  N  N5  4  0.0000  0.2204  0.0000  1
  N  N6  4  0.0000  0.2450  0.5000  1
  N  N7  4  0.2068  0.0000  0.9866  1
  N  N8  4  0.2184  0.0000  0.4483  1
]