data_[Ag96H24Se40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [14.7928]
_cell_length_b [14.7928]
_cell_length_c [14.7928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Ag12H3Se5]
_chemical_formula_sum '[Ag96 H24 Se40]'
_cell_volume [3237.0328]
_cell_formula_units_Z [8]
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
[
  Ag  Ag0  96  0.0212  0.1017  0.6451  1
  H  H1  24  0.0000  0.2500  0.1250  1
  Se  Se2  24  0.0000  0.2500  0.3750  1
  Se  Se3  16  0.0000  0.0000  0.0000  1
]