data_[Rb8Cu4Hg4I20]
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 [Cmc2_1]
_cell_length_a [4.7276]
_cell_length_b [21.2112]
_cell_length_c [15.5702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2CuHgI5]
_chemical_formula_sum '[Rb8 Cu4 Hg4 I20]'
_cell_volume [1561.3481]
_cell_formula_units_Z [4]
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  4  0.0000  0.1253  0.7126  1.0
  Rb  Rb1  4  0.0000  0.1279  0.3294  1.0
  Cu  Cu2  4  0.0000  0.4225  0.4098  1.0
  Hg  Hg3  4  0.0000  0.2076  0.0346  1.0
  I  I4  4  0.0000  0.0740  0.9984  1.0
  I  I5  4  0.0000  0.2993  0.6640  1.0
  I  I6  4  0.0000  0.3006  0.3720  1.0
  I  I7  4  0.0000  0.3418  0.0201  1.0
  I  I8  4  0.0000  0.4998  0.2830  1.0
]