data_[La12Ge4Ir2I6]
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
  Ir  2.2000  1.3500  0.7650
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7745]
_cell_length_b [13.2304]
_cell_length_c [8.2014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4577]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ge2IrI3]
_chemical_formula_sum '[La12 Ge4 Ir2 I6]'
_cell_volume [800.2054]
_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  0.2186  0.1566  0.1886  1.0
  La  La1  4  0.2377  0.5000  0.2027  1.0
  Ge  Ge2  4  0.0000  0.3344  0.0000  1.0
  Ir  Ir3  2  0.0000  0.0000  0.0000  1.0
  I  I4  4  0.0000  0.1757  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]