data_[Np2Sc2Al4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.6679]
_cell_length_b [6.6679]
_cell_length_c [6.4082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [NpScAl2O8]
_chemical_formula_sum '[Np2 Sc2 Al4 O16]'
_cell_volume [284.9168]
_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
[
  Sc  Sc0  2  0.0000  0.0000  0.0000  1
  Np  Np1  2  0.0000  0.5000  0.2500  1
  Al  Al2  2  0.0000  0.0000  0.5000  1
  Al  Al3  2  0.0000  0.5000  0.7500  1
  O  O4  8  0.0000  0.1950  0.3143  1
  O  O5  8  0.0000  0.3119  0.9426  1
]