data_[Np2Cu2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.2622]
_cell_length_b [4.0184]
_cell_length_c [19.9506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NpCuBr4]
_chemical_formula_sum '[Np2 Cu2 Br8]'
_cell_volume [983.0579]
_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  0.3190  0.2500  0.5214  1
  Cu  Cu1  2  0.1064  0.7500  0.4709  1
  Br  Br2  2  0.0896  0.2500  0.5694  1
  Br  Br3  2  0.1796  0.2500  0.4048  1
  Br  Br4  2  0.3300  0.7500  0.6241  1
  Br  Br5  2  0.4299  0.7500  0.4364  1
]