data_[Hg2Ir18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [2.7468]
_cell_length_b [3.8619]
_cell_length_c [40.9208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [HgIr9]
_chemical_formula_sum '[Hg2 Ir18]'
_cell_volume [434.0842]
_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
[
  Hg  Hg0  2  0.0000  0.0000  0.1735  1
  Ir  Ir1  2  0.0000  0.0000  0.2490  1
  Ir  Ir2  2  0.0000  0.0000  0.3165  1
  Ir  Ir3  2  0.0000  0.0000  0.3827  1
  Ir  Ir4  2  0.0000  0.0000  0.4497  1
  Ir  Ir5  2  0.0000  0.0000  0.5169  1
  Ir  Ir6  2  0.0000  0.0000  0.5836  1
  Ir  Ir7  2  0.0000  0.0000  0.6507  1
  Ir  Ir8  2  0.0000  0.0000  0.7175  1
  Ir  Ir9  2  0.0000  0.0000  0.7832  1
]