data_[La12Ga2Ir4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  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 [7.5230]
_cell_length_b [13.0169]
_cell_length_c [8.5713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6GaIr2I3]
_chemical_formula_sum '[La12 Ga2 Ir4 I6]'
_cell_volume [802.4572]
_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  0.2392  0.1763  0.1912  1
  La  La1  4  0.2109  0.5000  0.1900  1
  Ga  Ga2  2  0.0000  0.0000  0.0000  1
  Ir  Ir3  4  0.0000  0.3330  0.0000  1
  I  I4  4  0.0000  0.1621  0.5000  1
  I  I5  2  0.0000  0.5000  0.5000  1
]