data_[Tm2Tl2Fe2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.7659]
_cell_length_b [10.0849]
_cell_length_c [5.9185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2138]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TmTlFeF6]
_chemical_formula_sum '[Tm2 Tl2 Fe2 F12]'
_cell_volume [344.1541]
_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
[
  Tm  Tm0  2  0.0000  0.6642  0.0000  1.0
  Tl  Tl1  2  0.0000  0.0022  0.5000  1.0
  Fe  Fe2  2  0.0000  0.3341  0.0000  1.0
  F  F3  4  0.1168  0.4992  0.8023  1.0
  F  F4  4  0.1891  0.1904  0.8033  1.0
  F  F5  4  0.1999  0.8104  0.8136  1.0
]