data_[Rb12Tl4Hg4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8806]
_cell_length_b [11.5960]
_cell_length_c [9.1792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.0931]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3TlHg]
_chemical_formula_sum '[Rb12 Tl4 Hg4]'
_cell_volume [1113.4957]
_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  8  0.2111  0.1927  0.2411  1.0
  Rb  Rb1  4  0.0528  0.5000  0.8278  1.0
  Tl  Tl2  4  0.0680  0.0000  0.7548  1.0
  Hg  Hg3  4  0.2103  0.0000  0.5985  1.0
]