data_[Al2Hg2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [2.8226]
_cell_length_b [5.0040]
_cell_length_c [9.3857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [AlHgIr2]
_chemical_formula_sum '[Al2 Hg2 Ir4]'
_cell_volume [132.5686]
_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  0.0000  0.5232  1
  Hg  Hg1  2  0.0000  0.5000  0.2513  1
  Ir  Ir2  2  0.0000  0.0000  0.9848  1
  Ir  Ir3  2  0.0000  0.5000  0.7407  1
]