data_[Mn2Tl4Hg2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [Pmmn]
_cell_length_a [6.2268]
_cell_length_b [8.9056]
_cell_length_c [6.3868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [MnTl2HgF6]
_chemical_formula_sum '[Mn2 Tl4 Hg2 F12]'
_cell_volume [354.1715]
_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
[
  Mn  Mn0  2  0.0000  0.0000  0.2429  1
  Tl  Tl1  4  0.0000  0.2609  0.7726  1
  Hg  Hg2  2  0.0000  0.5000  0.2647  1
  F  F3  4  0.0000  0.2383  0.2218  1
  F  F4  4  0.2454  0.0000  0.0087  1
  F  F5  4  0.2455  0.0000  0.4705  1
]