data_[Sm8Pu4Cr4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pu  1.2800  1.7500  0.9675
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4142]
_cell_length_b [11.6532]
_cell_length_c [12.0052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm2PuCrN4]
_chemical_formula_sum '[Sm8 Pu4 Cr4 N16]'
_cell_volume [477.6453]
_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
[
  Sm  Sm0  8  0.0000  0.3684  0.5432  1
  Pu  Pu1  4  0.0000  0.1051  0.7500  1
  Cr  Cr2  4  0.0000  0.1656  0.2500  1
  N  N3  8  0.0000  0.2713  0.1361  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.4214  0.7500  1
]