data_[La12Hg2Rh4Cl6]
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
  Rh  2.2800  1.3500  0.7450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4168]
_cell_length_b [4.2298]
_cell_length_c [9.0504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6559]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6HgRh2Cl3]
_chemical_formula_sum '[La12 Hg2 Rh4 Cl6]'
_cell_volume [712.1243]
_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  0.0160  0.0000  0.2677  1.0
  La  La1  4  0.1663  0.5000  0.1180  1.0
  La  La2  4  0.1796  0.5000  0.5669  1.0
  Hg  Hg3  2  0.0000  0.5000  0.0000  1.0
  Rh  Rh4  4  0.1685  0.0000  0.3388  1.0
  Cl  Cl5  4  0.1663  0.0000  0.8419  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]