data_[Yb2Tl2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.2953]
_cell_length_b [6.2896]
_cell_length_c [4.4543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YbTlF3]
_chemical_formula_sum '[Yb2 Tl2 F6]'
_cell_volume [176.3677]
_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
[
  Yb  Yb0  2  0.4889  0.0000  0.4956  1.0
  Tl  Tl1  2  0.0050  0.0000  0.9636  1.0
  F  F2  4  0.2344  0.2469  0.5164  1.0
  F  F3  2  0.4781  0.0000  0.9979  1.0
]