data_[Cs2Tl4Hg2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7625]
_cell_length_b [6.7017]
_cell_length_c [11.5447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsTl2HgF6]
_chemical_formula_sum '[Cs2 Tl4 Hg2 F12]'
_cell_volume [427.0128]
_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  2  0.5000  0.0000  0.0000  1
  Tl  Tl1  4  0.2311  0.5667  0.7259  1
  Hg  Hg2  2  0.0000  0.0000  0.5000  1
  F  F3  4  0.0262  0.5967  0.2176  1
  F  F4  4  0.1430  0.1819  0.0467  1
  F  F5  4  0.3874  0.6488  0.1299  1
]