data_[Tl2Ag2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pm]
_cell_length_a [6.3557]
_cell_length_b [3.7713]
_cell_length_c [6.5944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TlAgF3]
_chemical_formula_sum '[Tl2 Ag2 F6]'
_cell_volume [152.9946]
_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
[
  Tl  Tl0  1  0.0090  0.0000  0.0697  1
  Tl  Tl1  1  0.2791  0.5000  0.6469  1
  Ag  Ag2  1  0.5832  0.5000  0.2741  1
  Ag  Ag3  1  0.6550  0.0000  0.6202  1
  F  F4  1  0.0477  0.0000  0.7191  1
  F  F5  1  0.2228  0.5000  0.0251  1
  F  F6  1  0.3110  0.0000  0.3372  1
  F  F7  1  0.6656  0.0000  0.0797  1
  F  F8  1  0.7950  0.5000  0.8441  1
  F  F9  1  0.9685  0.5000  0.3040  1
]