data_[Al2Zn12Ag6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4626]
_cell_length_b [4.6330]
_cell_length_c [9.6925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3830]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Al(Zn2Ag)3]
_chemical_formula_sum '[Al2 Zn12 Ag6]'
_cell_volume [316.1159]
_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
[
  Al  Al0  2  0.3918  0.7500  0.4307  1
  Zn  Zn1  2  0.0024  0.2500  0.1710  1
  Zn  Zn2  2  0.0037  0.2500  0.6718  1
  Zn  Zn3  2  0.1940  0.7500  0.1321  1
  Zn  Zn4  2  0.2040  0.2500  0.4627  1
  Zn  Zn5  2  0.3953  0.2500  0.2681  1
  Zn  Zn6  2  0.3966  0.7500  0.9300  1
  Ag  Ag7  2  0.1912  0.7500  0.6259  1
  Ag  Ag8  2  0.1990  0.2500  0.9698  1
  Ag  Ag9  2  0.4141  0.2500  0.7674  1
]