data_[Al2Ag2Ir4]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [2.8068]
_cell_length_b [4.8138]
_cell_length_c [9.1492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [AlAgIr2]
_chemical_formula_sum '[Al2 Ag2 Ir4]'
_cell_volume [123.6179]
_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  0.0000  0.5000  0.7621  1
  Ag  Ag1  2  0.0000  0.0000  0.5106  1
  Ir  Ir2  2  0.0000  0.0000  0.9868  1
  Ir  Ir3  2  0.0000  0.5000  0.2405  1
]