data_[Cs4Na10Tl2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [12.9542]
_cell_length_b [12.9542]
_cell_length_c [4.7639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Cs2Na5TlHg2]
_chemical_formula_sum '[Cs4 Na10 Tl2 Hg4]'
_cell_volume [799.4346]
_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
[
  Cs  Cs0  4  0.1754  0.6754  0.0000  1.0
  Na  Na1  8  0.0611  0.1952  0.5000  1.0
  Na  Na2  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  4  0.1197  0.3803  0.0000  1.0
]