data_[Hg3Sb2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9850]
_cell_length_b [6.5941]
_cell_length_c [9.3630]
_cell_angle_alpha [91.2830]
_cell_angle_beta [101.9916]
_cell_angle_gamma [107.8471]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hg3(SbI)2]
_chemical_formula_sum '[Hg3 Sb2 I2]'
_cell_volume [285.3447]
_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
[
  Hg  Hg0  2  0.2717  0.6768  0.3286  1.0
  Hg  Hg1  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb2  2  0.2612  0.6770  0.0368  1.0
  I  I3  2  0.3683  0.7311  0.6328  1.0
]