data_[Al6Zn12Ag2]
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 [9.1617]
_cell_length_b [2.8213]
_cell_length_c [12.9762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2011]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Al3Zn6Ag]
_chemical_formula_sum '[Al6 Zn12 Ag2]'
_cell_volume [318.6283]
_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  0.0815  0.7500  0.9406  1.0
  Al  Al1  2  0.2117  0.2500  0.6423  1.0
  Al  Al2  2  0.4077  0.7500  0.5519  1.0
  Zn  Zn3  2  0.0217  0.2500  0.7550  1.0
  Zn  Zn4  2  0.0970  0.7500  0.4528  1.0
  Zn  Zn5  2  0.1963  0.7500  0.1558  1.0
  Zn  Zn6  2  0.2750  0.2500  0.3479  1.0
  Zn  Zn7  2  0.3106  0.7500  0.8378  1.0
  Zn  Zn8  2  0.4897  0.7500  0.2492  1.0
  Ag  Ag9  2  0.3736  0.2500  0.0405  1.0
]