data_[Tl4Cr2Hg2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.1516]
_cell_length_b [8.9475]
_cell_length_c [6.6323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Tl2CrHgF6]
_chemical_formula_sum '[Tl4 Cr2 Hg2 F12]'
_cell_volume [365.0547]
_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
[
  Tl  Tl0  4  0.0000  0.2636  0.7760  1
  Cr  Cr1  2  0.0000  0.0000  0.2188  1
  Hg  Hg2  2  0.0000  0.5000  0.2881  1
  F  F3  4  0.0000  0.2194  0.2088  1
  F  F4  4  0.2289  0.0000  0.0118  1
  F  F5  4  0.2289  0.0000  0.4231  1
]