data_[Ce1Ag1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  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 [5.4648]
_cell_length_b [5.5876]
_cell_length_c [6.0923]
_cell_angle_alpha [89.1817]
_cell_angle_beta [65.0805]
_cell_angle_gamma [62.3317]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CeAgF6]
_chemical_formula_sum '[Ce1 Ag1 F6]'
_cell_volume [145.5593]
_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
[
  Ce  Ce0  1  0.0000  0.5000  0.5000  1.0
  Ag  Ag1  1  0.0000  0.0000  0.0000  1.0
  F  F2  2  0.1147  0.1356  0.2496  1.0
  F  F3  2  0.1467  0.2302  0.7460  1.0
  F  F4  2  0.4584  0.4171  0.2766  1.0
]