data_[Dy2Np2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Np  1.3600  1.7500  1.0000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5916]
_cell_length_b [14.3405]
_cell_length_c [7.5630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [DyNpI6]
_chemical_formula_sum '[Dy2 Np2 I12]'
_cell_volume [782.6102]
_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
[
  Dy  Dy0  2  0.0000  0.5000  0.5000  1
  Np  Np1  2  0.0000  0.0000  0.0000  1
  I  I2  8  0.2419  0.3513  0.7448  1
  I  I3  4  0.2491  0.5000  0.2534  1
]