data_[Y8Au2I10]
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 [C2/m]
_cell_length_a [19.3545]
_cell_length_b [4.2159]
_cell_length_c [8.9753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5668]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y4AuI5]
_chemical_formula_sum '[Y8 Au2 I10]'
_cell_volume [714.8092]
_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  4  0.0014  0.0000  0.2133  1.0
  Y  Y1  4  0.1479  0.5000  0.0760  1.0
  Au  Au2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1685  0.0000  0.3404  1.0
  I  I4  4  0.1759  0.0000  0.8308  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]