data_[La12Hg2Pd4I6]
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
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6553]
_cell_length_b [13.1495]
_cell_length_c [8.4134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6346]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6HgPd2I3]
_chemical_formula_sum '[La12 Hg2 Pd4 I6]'
_cell_volume [807.1135]
_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  0.2475  0.1770  0.2122  1.0
  La  La1  4  0.2132  0.5000  0.2039  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  4  0.0000  0.3312  0.0000  1.0
  I  I4  4  0.0000  0.1578  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]