data_[Rb1Np1Ga2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Np  1.3600  1.7500  1.0000
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5783]
_cell_length_b [7.7252]
_cell_length_c [10.1353]
_cell_angle_alpha [85.2884]
_cell_angle_beta [80.4866]
_cell_angle_gamma [84.4911]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbNp(GaI4)2]
_chemical_formula_sum '[Rb1 Np1 Ga2 I8]'
_cell_volume [581.1678]
_cell_formula_units_Z [1]
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
[
  Rb  Rb0  1  0.0000  0.0000  0.5000  1
  Np  Np1  1  0.0000  0.0000  0.0000  1
  Ga  Ga2  2  0.4507  0.4822  0.7193  1
  I  I3  2  0.2155  0.2987  0.9954  1
  I  I4  2  0.2177  0.8016  0.1912  1
  I  I5  2  0.2711  0.8607  0.7716  1
  I  I6  2  0.2810  0.3729  0.5046  1
]