data_[Np2Br12Cl2]
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 [13.5537]
_cell_length_b [11.3299]
_cell_length_c [5.2723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5646]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpBr6Cl]
_chemical_formula_sum '[Np2 Br12 Cl2]'
_cell_volume [747.6440]
_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
  Br  Br1  8  0.1490  0.1646  0.1462  1
  Br  Br2  4  0.0296  0.5000  0.3166  1
  Cl  Cl3  2  0.0000  0.0000  0.5000  1
]