data_[Pr2Ag4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [13.6343]
_cell_length_b [4.4997]
_cell_length_c [4.5869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrAg2F6]
_chemical_formula_sum '[Pr2 Ag4 F12]'
_cell_volume [273.3465]
_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
[
  Pr  Pr0  2  0.0000  0.0000  0.5000  1
  Ag  Ag1  4  0.2477  0.5000  0.8017  1
  F  F2  4  0.0834  0.5000  0.6487  1
  F  F3  4  0.0882  0.0000  0.0776  1
  F  F4  4  0.1901  0.0000  0.6407  1
]