data_[La12Hg2Ir4Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5280]
_cell_length_b [4.2401]
_cell_length_c [9.0570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7337]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6HgIr2Cl3]
_chemical_formula_sum '[La12 Hg2 Ir4 Cl6]'
_cell_volume [718.1631]
_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  4  0.0176  0.0000  0.2669  1.0
  La  La1  4  0.1656  0.5000  0.1193  1.0
  La  La2  4  0.1809  0.5000  0.5645  1.0
  Hg  Hg3  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir4  4  0.1675  0.0000  0.3377  1.0
  Cl  Cl5  4  0.1681  0.0000  0.8437  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]