data_[Rb2Tl4Hg2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2576]
_cell_length_b [8.0648]
_cell_length_c [13.3622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2289]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbTl2HgCl6]
_chemical_formula_sum '[Rb2 Tl4 Hg2 Cl12]'
_cell_volume [661.5998]
_cell_formula_units_Z [2]
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  0.5000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.2543  0.0552  0.2709  1.0
  Hg  Hg2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.0466  0.2222  0.8696  1.0
  Cl  Cl4  4  0.2530  0.6529  0.9662  1.0
  Cl  Cl5  4  0.3943  0.1334  0.7172  1.0
]