data_[Pt2Au2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.9557]
_cell_length_b [19.0480]
_cell_length_c [9.2063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7653]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [PtAuI3]
_chemical_formula_sum '[Pt2 Au2 I6]'
_cell_volume [1043.1809]
_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
[
  Pt  Pt0  2  0.0000  0.5000  0.0000  1
  Au  Au1  2  0.5000  0.5000  0.0000  1
  I  I2  4  0.2485  0.3939  0.4074  1
  I  I3  2  0.0000  0.4310  0.7500  1
]