data_[Np2Al2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.0048]
_cell_length_b [6.6189]
_cell_length_c [6.4754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NpAlSe4]
_chemical_formula_sum '[Np2 Al2 Se8]'
_cell_volume [343.0896]
_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  2  0.0000  0.9761  0.0723  1
  Al  Al1  2  0.0000  0.3380  0.4812  1
  Se  Se2  4  0.2393  0.1792  0.3176  1
  Se  Se3  2  0.0000  0.3225  0.8464  1
  Se  Se4  2  0.0000  0.6754  0.3369  1
]