data_[Rb2Ti2Hg2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [C2]
_cell_length_a [8.0576]
_cell_length_b [16.2989]
_cell_length_c [7.7684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8030]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [RbTiHgI6]
_chemical_formula_sum '[Rb2 Ti2 Hg2 I12]'
_cell_volume [933.4339]
_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
[
  Rb  Rb0  2  0.0000  0.6711  0.5000  1.0
  Ti  Ti1  2  0.0000  0.3541  0.5000  1.0
  Hg  Hg2  2  0.0000  0.8541  0.0000  1.0
  I  I3  4  0.2093  0.3526  0.2988  1.0
  I  I4  4  0.2169  0.2322  0.7454  1.0
  I  I5  4  0.2224  0.4741  0.7356  1.0
]