data_[Cr4Au4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.6115]
_cell_length_b [20.2063]
_cell_length_c [7.0156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7018]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CrAuI4]
_chemical_formula_sum '[Cr4 Au4 I16]'
_cell_volume [1076.7609]
_cell_formula_units_Z [4]
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
[
  Cr  Cr0  4  0.0000  0.0491  0.7500  1
  Au  Au1  4  0.0000  0.3557  0.2500  1
  I  I2  8  0.2003  0.9539  0.9430  1
  I  I3  8  0.2093  0.1485  0.9212  1
]