data_[Rb1Cu1Hg2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.2571]
_cell_length_b [8.2647]
_cell_length_c [8.3439]
_cell_angle_alpha [81.3002]
_cell_angle_beta [71.3242]
_cell_angle_gamma [60.2761]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbCu(HgI3)2]
_chemical_formula_sum '[Rb1 Cu1 Hg2 I6]'
_cell_volume [468.4244]
_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  1  0.1776  0.2137  0.4391  1.0
  Cu  Cu1  1  0.6389  0.5663  0.0574  1.0
  Hg  Hg2  1  0.4416  0.4919  0.7340  1.0
  Hg  Hg3  1  0.9567  0.8896  0.0728  1.0
  I  I4  1  0.0892  0.8200  0.7049  1.0
  I  I5  1  0.2951  0.5765  0.1621  1.0
  I  I6  1  0.4832  0.1506  0.7098  1.0
  I  I7  1  0.6475  0.7998  0.2214  1.0
  I  I8  1  0.7226  0.5896  0.7274  1.0
  I  I9  1  0.8860  0.2403  0.1561  1.0
]