data_[Cs1Th1Ag2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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-3m1]
_cell_length_a [6.2115]
_cell_length_b [6.2115]
_cell_length_c [8.8207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [CsThAg2F8]
_chemical_formula_sum '[Cs1 Th1 Ag2 F8]'
_cell_volume [294.7282]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1
  Th  Th1  1  0.0000  0.0000  0.0000  1
  Ag  Ag2  2  0.3333  0.6667  0.6856  1
  F  F3  6  0.1594  0.3187  0.8375  1
  F  F4  2  0.3333  0.6667  0.4512  1
]