data_[Ag2Hg1Pb1I6]
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
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.8612]
_cell_length_b [7.9188]
_cell_length_c [7.9967]
_cell_angle_alpha [60.6790]
_cell_angle_beta [69.2160]
_cell_angle_gamma [79.7406]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ag2HgPbI6]
_chemical_formula_sum '[Ag2 Hg1 Pb1 I6]'
_cell_volume [405.7832]
_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  0.5476  0.5245  0.4577  1.0
  Ag  Ag1  1  0.8031  0.1662  0.0505  1.0
  Hg  Hg2  1  0.1896  0.1628  0.2936  1.0
  Pb  Pb3  1  0.5027  0.8292  0.8396  1.0
  I  I4  1  0.2188  0.1896  0.9187  1.0
  I  I5  1  0.2522  0.7994  0.5888  1.0
  I  I6  1  0.2582  0.4997  0.2922  1.0
  I  I7  1  0.7245  0.5072  0.7325  1.0
  I  I8  1  0.7533  0.1713  0.4207  1.0
  I  I9  1  0.7655  0.8118  0.0673  1.0
]