data_[Rb2Hg1As1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [8.4103]
_cell_length_b [8.4150]
_cell_length_c [8.4322]
_cell_angle_alpha [119.3234]
_cell_angle_beta [119.3577]
_cell_angle_gamma [90.1893]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb2HgAsI6]
_chemical_formula_sum '[Rb2 Hg1 As1 I6]'
_cell_volume [429.5900]
_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  0.2535  0.7507  0.5015  1
  Hg  Hg1  1  0.5000  0.5000  0.0000  1
  As  As2  1  0.0000  0.0000  0.0000  1
  I  I3  2  0.1878  0.1900  0.4682  1
  I  I4  2  0.2501  0.7601  0.0044  1
  I  I5  2  0.2811  0.2848  0.0845  1
]