data_[Rb2In2Hg1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  In  1.7800  1.5500  0.9400
  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 [6.6505]
_cell_length_b [9.4095]
_cell_length_c [10.5546]
_cell_angle_alpha [99.5215]
_cell_angle_beta [107.5612]
_cell_angle_gamma [104.4882]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb2In2HgI6]
_chemical_formula_sum '[Rb2 In2 Hg1 I6]'
_cell_volume [588.5479]
_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  0.2598  0.8370  0.1687  1.0
  In  In1  2  0.1360  0.3181  0.3313  1.0
  Hg  Hg2  1  0.0000  0.5000  0.5000  1.0
  I  I3  2  0.1771  0.9723  0.8398  1.0
  I  I4  2  0.2846  0.4317  0.1291  1.0
  I  I5  2  0.4938  0.2108  0.4612  1.0
]