data_[Np2Be2Al2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Be  1.5700  1.0500  0.5900
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3422]
_cell_length_b [2.6532]
_cell_length_c [7.1188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2895]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [NpBeAl]
_chemical_formula_sum '[Np2 Be2 Al2]'
_cell_volume [98.5892]
_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
[
  Np  Np0  1  0.4061  0.5000  0.7279  1
  Np  Np1  1  0.6024  0.0000  0.4401  1
  Be  Be2  1  0.3050  0.0000  0.0722  1
  Be  Be3  1  0.7079  0.0000  0.0765  1
  Al  Al4  1  0.0655  0.5000  0.2937  1
  Al  Al5  1  0.9365  0.0000  0.8237  1
]