data_[Np2Bi6Br4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7868]
_cell_length_b [6.4037]
_cell_length_c [5.9954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpBi3(BrO3)2]
_chemical_formula_sum '[Np2 Bi6 Br4 O12]'
_cell_volume [478.6149]
_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
  Bi  Bi1  4  0.2500  0.2500  0.5000  1
  Bi  Bi2  2  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.2021  0.5000  0.8830  1
  O  O4  8  0.0634  0.2402  0.3043  1
  O  O5  4  0.1473  0.0000  0.6869  1
]