data_[Tb2Ag4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ag  1.9300  1.6000  1.0867
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3323]
_cell_length_b [4.0318]
_cell_length_c [7.2831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0051]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbAg2F6]
_chemical_formula_sum '[Tb2 Ag4 F12]'
_cell_volume [296.6129]
_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
[
  Tb  Tb0  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  4  0.1754  0.0000  0.1295  1.0
  F  F2  4  0.0243  0.0000  0.2092  1.0
  F  F3  4  0.1133  0.5000  0.5385  1.0
  F  F4  4  0.2040  0.0000  0.8290  1.0
]