data_[Rb4Tl4Hg56]
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 [Imma]
_cell_length_a [11.4330]
_cell_length_b [11.9174]
_cell_length_c [14.8219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [RbTlHg14]
_chemical_formula_sum '[Rb4 Tl4 Hg56]'
_cell_volume [2019.5091]
_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  0.2500  0.3931  1
  Tl  Tl1  4  0.0000  0.0000  0.0000  1
  Hg  Hg2  16  0.1335  0.4984  0.1967  1
  Hg  Hg3  16  0.1428  0.0786  0.5840  1
  Hg  Hg4  8  0.1240  0.2500  0.7521  1
  Hg  Hg5  8  0.1468  0.2500  0.9650  1
  Hg  Hg6  8  0.1541  0.2500  0.1691  1
]