data_[Al3Ag5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9003]
_cell_length_b [6.0916]
_cell_length_c [5.8030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Al3Ag5]
_chemical_formula_sum '[Al3 Ag5]'
_cell_volume [137.8720]
_cell_formula_units_Z [1]
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  0.5000  0.2505  0.7541  1.0
  Al  Al1  1  0.0000  0.0000  0.4896  1.0
  Ag  Ag2  2  0.5000  0.2406  0.2607  1.0
  Ag  Ag3  1  0.0000  0.0000  0.9731  1.0
  Ag  Ag4  1  0.0000  0.5000  0.5105  1.0
  Ag  Ag5  1  0.0000  0.5000  0.9972  1.0
]