data_[Rb2Sc1Hg1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sc  1.3600  1.6000  0.8850
  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 [8.1975]
_cell_length_b [8.4954]
_cell_length_c [8.5845]
_cell_angle_alpha [118.6142]
_cell_angle_beta [118.1560]
_cell_angle_gamma [90.1270]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb2ScHgI6]
_chemical_formula_sum '[Rb2 Sc1 Hg1 I6]'
_cell_volume [442.1404]
_cell_formula_units_Z [1]
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  0.2463  0.2680  0.9977  1.0
  Sc  Sc1  1  0.0000  0.5000  0.5000  1.0
  Hg  Hg2  1  0.5000  0.0000  0.5000  1.0
  I  I3  2  0.1519  0.1839  0.4715  1.0
  I  I4  2  0.2287  0.6988  0.9603  1.0
  I  I5  2  0.3185  0.6730  0.5175  1.0
]