data_[Mg2Np2Al22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Np  1.3600  1.7500  1.0000
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.4542]
_cell_length_b [12.9061]
_cell_length_c [7.1344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgNpAl11]
_chemical_formula_sum '[Mg2 Np2 Al22]'
_cell_volume [464.8558]
_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
[
  Mg  Mg0  2  0.0000  0.5000  0.5000  1
  Np  Np1  2  0.0000  0.0000  0.0000  1
  Al  Al2  8  0.1094  0.6079  0.2114  1
  Al  Al3  8  0.1665  0.1794  0.3500  1
  Al  Al4  4  0.2500  0.2500  0.0000  1
  Al  Al5  2  0.0000  0.0000  0.5000  1
]