data_[Pu2Sc6N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Sc  1.3600  1.6000  0.8850
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.6519]
_cell_length_b [6.5442]
_cell_length_c [5.6749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [PuSc3N4]
_chemical_formula_sum '[Pu2 Sc6 N8]'
_cell_volume [197.7762]
_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
[
  Pu  Pu0  2  0.0000  0.1290  0.7500  1
  Sc  Sc1  2  0.0000  0.3790  0.2500  1
  Sc  Sc2  2  0.5000  0.1313  0.2500  1
  Sc  Sc3  2  0.5000  0.3802  0.7500  1
  N  N4  4  0.2530  0.3781  0.0016  1
  N  N5  4  0.2534  0.1277  0.4997  1
]