data_[Co1Au2I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.9695]
_cell_length_b [8.2912]
_cell_length_c [21.7221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Co(AuI2)2]
_chemical_formula_sum '[Co1 Au2 I4]'
_cell_volume [895.0143]
_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
[
  Co  Co0  1  0.7685  0.0000  0.4591  1
  Au  Au1  1  0.2712  0.0000  0.4277  1
  Au  Au2  1  0.6139  0.5000  0.6080  1
  I  I3  2  0.5442  0.2465  0.5032  1
  I  I4  1  0.1113  0.5000  0.6542  1
  I  I5  1  0.8783  0.0000  0.3447  1
]