data_[Hg10Ir2]
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 [Cm]
_cell_length_a [10.0729]
_cell_length_b [3.0325]
_cell_length_c [9.8765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4434]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Hg5Ir]
_chemical_formula_sum '[Hg10 Ir2]'
_cell_volume [294.5992]
_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  0.0698  0.0000  0.9733  1
  Hg  Hg1  2  0.1734  0.5000  0.3787  1
  Hg  Hg2  2  0.2654  0.0000  0.7296  1
  Hg  Hg3  2  0.3844  0.0000  0.2136  1
  Hg  Hg4  2  0.4710  0.5000  0.5657  1
  Ir  Ir5  2  0.3027  0.5000  0.9724  1
]