data_[Al4Ag4]
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 [P4mm]
_cell_length_a [2.9310]
_cell_length_b [2.9310]
_cell_length_c [15.8965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [AlAg]
_chemical_formula_sum '[Al4 Ag4]'
_cell_volume [136.5666]
_cell_formula_units_Z [4]
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  1  0.0000  0.0000  0.2526  1.0
  Al  Al1  1  0.0000  0.0000  0.4975  1.0
  Al  Al2  1  0.0000  0.0000  0.7487  1.0
  Al  Al3  1  0.5000  0.5000  0.8752  1.0
  Ag  Ag4  1  0.0000  0.0000  0.9966  1.0
  Ag  Ag5  1  0.5000  0.5000  0.1336  1.0
  Ag  Ag6  1  0.5000  0.5000  0.3736  1.0
  Ag  Ag7  1  0.5000  0.5000  0.6221  1.0
]