data_[Ga4Ir2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [13.3232]
_cell_length_b [10.8647]
_cell_length_c [7.1104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7168]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga2IrI8]
_chemical_formula_sum '[Ga4 Ir2 I16]'
_cell_volume [1024.1297]
_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
[
  Ga  Ga0  4  0.2022  0.0000  0.6554  1.0
  Ir  Ir1  2  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.0944  0.1721  0.8128  1.0
  I  I3  4  0.1112  0.5000  0.2264  1.0
  I  I4  4  0.1786  0.0000  0.2877  1.0
]