data_[Ti2Hg2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  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 [6.9870]
_cell_length_b [7.0001]
_cell_length_c [10.8942]
_cell_angle_alpha [72.4859]
_cell_angle_beta [73.5276]
_cell_angle_gamma [60.9358]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TiHgI3]
_chemical_formula_sum '[Ti2 Hg2 I6]'
_cell_volume [438.0738]
_cell_formula_units_Z [2]
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
[
  Ti  Ti0  2  0.1550  0.1550  0.4999  1
  Hg  Hg1  2  0.2967  0.4069  0.9959  1
  I  I2  2  0.1073  0.4491  0.6530  1
  I  I3  2  0.1924  0.9140  0.3270  1
  I  I4  2  0.4560  0.8003  0.6537  1
]