data_[Ag2Sn2Hg1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.6730]
_cell_length_b [8.1006]
_cell_length_c [8.2987]
_cell_angle_alpha [87.7115]
_cell_angle_beta [67.6462]
_cell_angle_gamma [85.2117]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ag2Sn2HgI6]
_chemical_formula_sum '[Ag2 Sn2 Hg1 I6]'
_cell_volume [475.3667]
_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  2  0.1885  0.9145  0.0122  1.0
  Sn  Sn1  2  0.2264  0.1758  0.5386  1.0
  Hg  Hg2  1  0.5000  0.5000  0.5000  1.0
  I  I3  2  0.0487  0.8595  0.6961  1.0
  I  I4  2  0.0873  0.6210  0.1938  1.0
  I  I5  2  0.4602  0.0982  0.7711  1.0
]