data_[La12Hg6Ir4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Hg  2.0000  1.5000  1.2450
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2717]
_cell_length_b [12.5889]
_cell_length_c [8.3149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9069]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Hg3Ir2Ru]
_chemical_formula_sum '[La12 Hg6 Ir4 Ru2]'
_cell_volume [728.2692]
_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
[
  La  La0  8  0.2294  0.1646  0.1942  1.0
  La  La1  4  0.2373  0.5000  0.1989  1.0
  Hg  Hg2  4  0.0000  0.1736  0.5000  1.0
  Hg  Hg3  2  0.0000  0.5000  0.5000  1.0
  Ir  Ir4  4  0.0000  0.3345  0.0000  1.0
  Ru  Ru5  2  0.0000  0.0000  0.0000  1.0
]