data_[Np2Tl4In2Br12]
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
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7995]
_cell_length_b [8.6402]
_cell_length_c [13.3707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NpTl2InBr6]
_chemical_formula_sum '[Np2 Tl4 In2 Br12]'
_cell_volume [764.3430]
_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  0.5000  1
  Tl  Tl1  4  0.2987  0.0851  0.2650  1
  In  In2  2  0.5000  0.0000  0.0000  1
  Br  Br3  4  0.0937  0.0616  0.7367  1
  Br  Br4  4  0.2349  0.7167  0.5760  1
  Br  Br5  4  0.3573  0.1716  0.5531  1
]