data_[Np4Al4Tl8Se20]
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
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0739]
_cell_length_b [18.9009]
_cell_length_c [14.0463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NpAlTl2Se5]
_chemical_formula_sum '[Np4 Al4 Tl8 Se20]'
_cell_volume [1081.5668]
_cell_formula_units_Z [4]
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  4  0.0000  0.2013  0.0291  1
  Al  Al1  4  0.0000  0.4358  0.4218  1
  Tl  Tl2  4  0.0000  0.1141  0.6771  1
  Tl  Tl3  4  0.0000  0.1188  0.3320  1
  Se  Se4  4  0.0000  0.0484  0.0246  1
  Se  Se5  4  0.0000  0.2954  0.6602  1
  Se  Se6  4  0.0000  0.3082  0.3885  1
  Se  Se7  4  0.0000  0.3404  0.0111  1
  Se  Se8  4  0.0000  0.4986  0.2796  1
]