data_[Tl4Fe2Sn2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.2166]
_cell_length_b [8.9733]
_cell_length_c [6.4482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Tl2FeSnF6]
_chemical_formula_sum '[Tl4 Fe2 Sn2 F12]'
_cell_volume [359.7008]
_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  0.2587  0.7696  1
  Fe  Fe1  2  0.0000  0.0000  0.2336  1
  Sn  Sn2  2  0.0000  0.5000  0.2665  1
  F  F3  4  0.0000  0.2389  0.2070  1
  F  F4  4  0.2327  0.0000  0.4627  1
  F  F5  4  0.2377  0.0000  0.9981  1
]