data_[Cs2Dy2Hg2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Dy  1.2200  1.7500  1.1310
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.7805]
_cell_length_b [14.7027]
_cell_length_c [8.3951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4069]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsDyHgI6]
_chemical_formula_sum '[Cs2 Dy2 Hg2 I12]'
_cell_volume [952.3432]
_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  0.9923  0.0000  1.0
  Dy  Dy1  2  0.0000  0.6575  0.5000  1.0
  Hg  Hg2  2  0.0000  0.3560  0.5000  1.0
  I  I3  4  0.1633  0.5062  0.3213  1.0
  I  I4  4  0.2094  0.7926  0.3015  1.0
  I  I5  4  0.2323  0.1979  0.2249  1.0
]