data_[Cs3Tl4Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6360]
_cell_length_b [7.6841]
_cell_length_c [10.6193]
_cell_angle_alpha [72.3898]
_cell_angle_beta [75.7715]
_cell_angle_gamma [68.8579]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs3(Tl2Hg)2]
_chemical_formula_sum '[Cs3 Tl4 Hg2]'
_cell_volume [403.9807]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  2  0.3914  0.8557  0.3621  1.0
  Cs  Cs1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  2  0.0993  0.4329  0.3670  1.0
  Tl  Tl3  2  0.2813  0.3753  0.0621  1.0
  Hg  Hg4  2  0.3057  0.6267  0.7574  1.0
]