data_[Sm18Np6N36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Np  1.3600  1.7500  1.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.8590]
_cell_length_b [9.8590]
_cell_length_c [11.6187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sm3NpN6]
_chemical_formula_sum '[Sm18 Np6 N36]'
_cell_volume [978.0403]
_cell_formula_units_Z [6]
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  18  0.0365  0.2662  0.7122  1
  Np  Np1  3  0.0000  0.0000  0.0000  1
  Np  Np2  3  0.0000  0.0000  0.5000  1
  N  N3  18  0.0256  0.1746  0.3863  1
  N  N4  18  0.0310  0.1992  0.9105  1
]