data_[Np8Tl4Br44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.9586]
_cell_length_b [12.9741]
_cell_length_c [14.5226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Np2TlBr11]
_chemical_formula_sum '[Np8 Tl4 Br44]'
_cell_volume [2441.6311]
_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  8  0.1583  0.1545  0.5000  1
  Tl  Tl1  4  0.0000  0.5000  0.2500  1
  Br  Br2  16  0.0568  0.2591  0.3691  1
  Br  Br3  16  0.2385  0.5502  0.3699  1
  Br  Br4  8  0.1977  0.7954  0.5000  1
  Br  Br5  4  0.0000  0.0000  0.0000  1
]