data_[Au1I5Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4062]
_cell_length_b [9.5848]
_cell_length_c [9.7053]
_cell_angle_alpha [62.3975]
_cell_angle_beta [89.9102]
_cell_angle_gamma [72.9271]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AuI5Cl2]
_chemical_formula_sum '[Au1 I5 Cl2]'
_cell_volume [498.4291]
_cell_formula_units_Z [1]
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
[
  Au  Au0  1  0.0517  0.0490  0.9739  1
  I  I1  1  0.2971  0.0488  0.1987  1
  I  I2  1  0.3019  0.0476  0.7509  1
  I  I3  1  0.8036  0.0478  0.7509  1
  I  I4  1  0.8041  0.0509  0.1978  1
  I  I5  1  0.8297  0.5422  0.7769  1
  Cl  Cl6  1  0.1434  0.5972  0.6727  1
  Cl  Cl7  1  0.5455  0.0625  0.4552  1
]