data_[Th1Ag1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ag  1.9300  1.6000  1.0867
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1980]
_cell_length_b [5.6730]
_cell_length_c [6.1391]
_cell_angle_alpha [89.8176]
_cell_angle_beta [67.2794]
_cell_angle_gamma [63.3511]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ThAgF6]
_chemical_formula_sum '[Th1 Ag1 F6]'
_cell_volume [146.0351]
_cell_formula_units_Z [1]
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
[
  Th  Th0  1  0.0000  0.5000  0.5000  1
  Ag  Ag1  1  0.0000  0.0000  0.0000  1
  F  F2  2  0.1325  0.1287  0.2470  1
  F  F3  2  0.1532  0.2232  0.7483  1
  F  F4  2  0.4847  0.4228  0.2771  1
]