data_[Np2Br2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4290]
_cell_length_b [11.8478]
_cell_length_c [8.0241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpBrCl6]
_chemical_formula_sum '[Np2 Br2 Cl12]'
_cell_volume [647.4554]
_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  0.5000  0.5000  1
  Br  Br1  2  0.0000  0.0000  0.0000  1
  Cl  Cl2  8  0.0303  0.3525  0.2953  1
  Cl  Cl3  4  0.1078  0.0000  0.3265  1
]