data_[Np2Tl6Br12]
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 [P2_1/c]
_cell_length_a [7.8221]
_cell_length_b [8.6838]
_cell_length_c [13.3872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Np(TlBr2)3]
_chemical_formula_sum '[Np2 Tl6 Br12]'
_cell_volume [771.7426]
_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  0.0000  0.0000  1
  Tl  Tl1  4  0.2987  0.0830  0.7668  1
  Tl  Tl2  2  0.5000  0.0000  0.5000  1
  Br  Br3  4  0.0903  0.0667  0.2351  1
  Br  Br4  4  0.2362  0.7190  0.0796  1
  Br  Br5  4  0.3563  0.1695  0.0521  1
]