data_[Np2Ga4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [13.9534]
_cell_length_b [11.1395]
_cell_length_c [7.4047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6368]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Np(GaI4)2]
_chemical_formula_sum '[Np2 Ga4 I16]'
_cell_volume [1131.1632]
_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
  Ga  Ga1  4  0.2042  0.0000  0.6674  1
  I  I2  8  0.0999  0.1841  0.7725  1
  I  I3  4  0.1157  0.5000  0.1700  1
  I  I4  4  0.1930  0.0000  0.2947  1
]