data_[Y12Al2Ag6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1899]
_cell_length_b [5.0499]
_cell_length_c [11.5770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7590]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y6AlAg3]
_chemical_formula_sum '[Y12 Al2 Ag6]'
_cell_volume [521.8480]
_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
[
  Y  Y0  2  0.1153  0.7500  0.1667  1
  Y  Y1  2  0.1439  0.7500  0.8889  1
  Y  Y2  2  0.1444  0.2500  0.6561  1
  Y  Y3  2  0.2443  0.7500  0.4835  1
  Y  Y4  2  0.3515  0.2500  0.3028  1
  Y  Y5  2  0.4947  0.2500  0.8858  1
  Al  Al6  2  0.0483  0.2500  0.3711  1
  Ag  Ag7  2  0.2260  0.2500  0.0323  1
  Ag  Ag8  2  0.3528  0.7500  0.7433  1
  Ag  Ag9  2  0.4626  0.2500  0.6102  1
]