data_[Ag2Hg1Au1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.5203]
_cell_length_b [7.5705]
_cell_length_c [7.7718]
_cell_angle_alpha [77.1266]
_cell_angle_beta [67.5162]
_cell_angle_gamma [73.7653]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ag2HgAuI6]
_chemical_formula_sum '[Ag2 Hg1 Au1 I6]'
_cell_volume [389.1695]
_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
[
  Ag  Ag0  1  0.5122  0.6656  0.3229  1
  Ag  Ag1  1  0.9357  0.0118  0.0882  1
  Hg  Hg2  1  0.1655  0.3453  0.3039  1
  Au  Au3  1  0.6814  0.9928  0.6527  1
  I  I4  1  0.1081  0.7265  0.3474  1
  I  I5  1  0.2173  0.2349  0.9707  1
  I  I6  1  0.4617  0.7596  0.6701  1
  I  I7  1  0.5755  0.2531  0.3445  1
  I  I8  1  0.7822  0.7740  0.9780  1
  I  I9  1  0.8988  0.2212  0.6601  1
]