data_[Y2Au2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2115]
_cell_length_b [4.3725]
_cell_length_c [16.6757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [YAuI4]
_chemical_formula_sum '[Y2 Au2 I8]'
_cell_volume [532.2187]
_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
[
  Y  Y0  2  0.5000  0.0000  0.5000  1.0
  Au  Au1  2  0.0000  0.0000  0.0000  1.0
  I  I2  4  0.0792  0.0998  0.4019  1.0
  I  I3  4  0.4898  0.5054  0.3696  1.0
]