data_[In2Ag2Hg1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  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 [7.7172]
_cell_length_b [7.7356]
_cell_length_c [10.5023]
_cell_angle_alpha [71.3926]
_cell_angle_beta [69.1321]
_cell_angle_gamma [64.6221]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [In2Ag2HgI6]
_chemical_formula_sum '[In2 Ag2 Hg1 I6]'
_cell_volume [518.9121]
_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
[
  In  In0  2  0.1108  0.9696  0.8616  1.0
  Ag  Ag1  2  0.1468  0.3364  0.3377  1.0
  Hg  Hg2  1  0.5000  0.5000  0.5000  1.0
  I  I3  2  0.0635  0.7315  0.3540  1.0
  I  I4  2  0.1252  0.6297  0.8084  1.0
  I  I5  2  0.4922  0.0433  0.2203  1.0
]