data_[Al10Zn2Ag12]
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 [C2/m]
_cell_length_a [14.9474]
_cell_length_b [5.7417]
_cell_length_c [4.9456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al5ZnAg6]
_chemical_formula_sum '[Al10 Zn2 Ag12]'
_cell_volume [405.8345]
_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  4  0.1660  0.5000  0.6661  1
  Al  Al1  4  0.1663  0.0000  0.6664  1
  Al  Al2  2  0.0000  0.5000  0.0000  1
  Zn  Zn3  2  0.0000  0.0000  0.0000  1
  Ag  Ag4  8  0.1670  0.2505  0.1671  1
  Ag  Ag5  4  0.0000  0.2506  0.5000  1
]