data_[Rb4Tl4Hg2Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4563]
_cell_length_b [13.9704]
_cell_length_c [8.0250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2015]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Tl2HgBr6]
_chemical_formula_sum '[Rb4 Tl4 Hg2 Br12]'
_cell_volume [895.3124]
_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  4  0.0000  0.3372  0.5000  1.0
  Tl  Tl1  4  0.0000  0.1895  0.0000  1.0
  Hg  Hg2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  8  0.2297  0.1550  0.7412  1.0
  Br  Br4  4  0.1792  0.0000  0.2874  1.0
]