data_[Ag16As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.1563]
_cell_length_b [4.1563]
_cell_length_c [25.5772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Ag2As]
_chemical_formula_sum '[Ag16 As8]'
_cell_volume [441.8439]
_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  8  0.0000  0.0000  0.2488  1
  Ag  Ag1  8  0.0000  0.0000  0.4151  1
  As  As2  8  0.0000  0.0000  0.0772  1
]