data_[V3Hg6I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.6186]
_cell_length_b [7.6186]
_cell_length_c [22.0009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [V(HgI3)2]
_chemical_formula_sum '[V3 Hg6 I18]'
_cell_volume [1105.9115]
_cell_formula_units_Z [3]
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
[
  V  V0  3  0.0000  0.0000  0.6668  1
  Hg  Hg1  3  0.0000  0.0000  0.2602  1
  Hg  Hg2  3  0.0000  0.0000  0.4097  1
  I  I3  9  0.0175  0.3028  0.5882  1
  I  I4  9  0.0205  0.7139  0.7442  1
]