data_[Np16Sn16Pb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.0662]
_cell_length_b [12.9950]
_cell_length_c [18.9520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [NpSnPb]
_chemical_formula_sum '[Np16 Sn16 Pb16]'
_cell_volume [1493.9763]
_cell_formula_units_Z [16]
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
[
  Np  Np0  16  0.0000  0.0000  0.2724  1
  Sn  Sn1  16  0.1250  0.1250  0.1250  1
  Pb  Pb2  16  0.0094  0.2500  0.7500  1
]