data_[La12Ge2Pd4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ge  2.0100  1.2500  0.7700
  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 [7.6298]
_cell_length_b [13.2416]
_cell_length_c [8.2950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6GePd2I3]
_chemical_formula_sum '[La12 Ge2 Pd4 I6]'
_cell_volume [797.4541]
_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  0.2363  0.1680  0.2006  1.0
  La  La1  4  0.2304  0.5000  0.2004  1.0
  Ge  Ge2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  4  0.0000  0.3326  0.0000  1.0
  I  I4  4  0.0000  0.1629  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]