data_[Al3Ag4]
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 [P-1]
_cell_length_a [4.9152]
_cell_length_b [5.0112]
_cell_length_c [5.1375]
_cell_angle_alpha [101.9557]
_cell_angle_beta [98.6718]
_cell_angle_gamma [98.7634]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Al3Ag4]
_chemical_formula_sum '[Al3 Ag4]'
_cell_volume [120.1574]
_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  0.3483  0.7148  0.9232  1.0
  Al  Al1  1  0.5000  0.0000  0.5000  1.0
  Ag  Ag2  2  0.0904  0.1402  0.7865  1.0
  Ag  Ag3  2  0.2223  0.4430  0.3495  1.0
]