data_[H24Se4I4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [4.6960]
_cell_length_b [17.1167]
_cell_length_c [10.0685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [H6SeIN2]
_chemical_formula_sum '[H24 Se4 I4 N8]'
_cell_volume [809.2923]
_cell_formula_units_Z [4]
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
[
  H  H0  8  0.1268  0.2826  0.4013  1
  H  H1  8  0.1830  0.1425  0.5479  1
  H  H2  8  0.2271  0.3489  0.2941  1
  Se  Se3  4  0.0000  0.1238  0.2500  1
  I  I4  4  0.0000  0.4459  0.7500  1
  N  N5  8  0.1559  0.3414  0.3891  1
]