data_[Al2Cu4Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2639]
_cell_length_b [3.0568]
_cell_length_c [4.2754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AlCu2Ag]
_chemical_formula_sum '[Al2 Cu4 Ag2]'
_cell_volume [111.3325]
_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  0.2390  0.5000  0.2377  1.0
  Cu  Cu1  2  0.2613  0.0000  0.7609  1.0
  Cu  Cu2  2  0.4990  0.5000  0.9993  1.0
  Ag  Ag3  2  0.0006  0.5000  0.5023  1.0
]