data_[Ga4Au4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [10.4653]
_cell_length_b [11.3830]
_cell_length_c [10.1007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [GaAuI4]
_chemical_formula_sum '[Ga4 Au4 I16]'
_cell_volume [1203.2700]
_cell_formula_units_Z [4]
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  0.0000  0.3166  0.7500  1
  Au  Au1  4  0.2118  0.5000  0.0000  1
  I  I2  8  0.0051  0.2013  0.5352  1
  I  I3  8  0.2025  0.4602  0.7469  1
]