data_[Al2Zn6Ag12]
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 [7.5762]
_cell_length_b [4.6351]
_cell_length_c [10.1328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0253]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Al(ZnAg2)3]
_chemical_formula_sum '[Al2 Zn6 Ag12]'
_cell_volume [332.1408]
_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  0.3842  0.7500  0.4214  1
  Zn  Zn1  2  0.1840  0.7500  0.6340  1
  Zn  Zn2  2  0.1993  0.2500  0.9684  1
  Zn  Zn3  2  0.3934  0.2500  0.7746  1
  Ag  Ag4  2  0.0021  0.2500  0.6645  1
  Ag  Ag5  2  0.0065  0.2500  0.1650  1
  Ag  Ag6  2  0.2148  0.7500  0.1319  1
  Ag  Ag7  2  0.2227  0.2500  0.4795  1
  Ag  Ag8  2  0.4010  0.7500  0.9244  1
  Ag  Ag9  2  0.4263  0.2500  0.2861  1
]