data_[Np2Tl8Br12]
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 [P4/mnc]
_cell_length_a [8.8423]
_cell_length_b [8.8423]
_cell_length_c [10.0659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [128]
_chemical_formula_structural [Np(Tl2Br3)2]
_chemical_formula_sum '[Np2 Tl8 Br12]'
_cell_volume [787.0150]
_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  8  0.1497  0.6497  0.2500  1
  Br  Br2  8  0.1349  0.3050  0.5000  1
  Br  Br3  4  0.0000  0.0000  0.2099  1
]