data_[Np2Tl2Sn2Br12]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.6874]
_cell_length_b [7.6874]
_cell_length_c [14.1943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [NpTlSnBr6]
_chemical_formula_sum '[Np2 Tl2 Sn2 Br12]'
_cell_volume [726.4449]
_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  0.3333  0.6667  0.7500  1
  Tl  Tl1  2  0.0000  0.0000  0.0000  1
  Sn  Sn2  2  0.3333  0.6667  0.2500  1
  Br  Br3  12  0.0102  0.3685  0.6348  1
]