data_[In2Au2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4286]
_cell_length_b [9.3870]
_cell_length_c [8.0952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InAuI6]
_chemical_formula_sum '[In2 Au2 I12]'
_cell_volume [710.8814]
_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
[
  In  In0  2  0.0000  0.0000  0.5000  1
  Au  Au1  2  0.0000  0.0000  0.0000  1
  I  I2  8  0.0726  0.2052  0.7929  1
  I  I3  4  0.2073  0.5000  0.5534  1
]