data_[Cs2Ho2Hg2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ho  1.2300  1.7500  1.0410
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.7560]
_cell_length_b [14.6754]
_cell_length_c [8.3914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3109]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsHoHgI6]
_chemical_formula_sum '[Cs2 Ho2 Hg2 I12]'
_cell_volume [947.3538]
_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
[
  Cs  Cs0  2  0.0000  0.0105  0.0000  1.0
  Ho  Ho1  2  0.0000  0.3448  0.5000  1.0
  Hg  Hg2  2  0.0000  0.6458  0.5000  1.0
  I  I3  4  0.1675  0.4954  0.3240  1.0
  I  I4  4  0.2109  0.2095  0.3026  1.0
  I  I5  4  0.2301  0.8046  0.2257  1.0
]