data_[Np2V2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  V  1.6300  1.3500  0.7775
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6741]
_cell_length_b [13.1944]
_cell_length_c [6.6494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpVBr6]
_chemical_formula_sum '[Np2 V2 Br12]'
_cell_volume [556.5294]
_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
  V  V1  2  0.0000  0.5000  0.5000  1
  Br  Br2  8  0.2286  0.3579  0.7308  1
  Br  Br3  4  0.2390  0.5000  0.2573  1
]