data_[Ag20Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.5140]
_cell_length_b [7.1915]
_cell_length_c [10.0096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ag5Sn3]
_chemical_formula_sum '[Ag20 Sn12]'
_cell_volume [684.8629]
_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
[
  Ag  Ag0  8  0.0000  0.3068  0.5470  1.0
  Ag  Ag1  8  0.2232  0.2893  0.7500  1.0
  Ag  Ag2  4  0.0000  0.0048  0.7500  1.0
  Sn  Sn3  8  0.2096  0.0000  0.0000  1.0
  Sn  Sn4  4  0.0000  0.3967  0.2500  1.0
]