data_[Pr2Tl4Ag2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5387]
_cell_length_b [6.7898]
_cell_length_c [11.1166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6327]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PrTl2AgF6]
_chemical_formula_sum '[Pr2 Tl4 Ag2 F12]'
_cell_volume [406.0902]
_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  1.0
  Tl  Tl1  4  0.2642  0.5444  0.7498  1.0
  Ag  Ag2  2  0.5000  0.0000  0.0000  1.0
  F  F3  4  0.1441  0.5341  0.2439  1.0
  F  F4  4  0.2319  0.2157  0.0528  1.0
  F  F5  4  0.3368  0.6822  0.0455  1.0
]