data_[Tl1Tc1Ag2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Tc  1.9000  1.3500  0.7417
  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 [5.2861]
_cell_length_b [5.2861]
_cell_length_c [8.4138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [TlTcAg2F8]
_chemical_formula_sum '[Tl1 Tc1 Ag2 F8]'
_cell_volume [203.6042]
_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
[
  Tl  Tl0  1  0.0000  0.0000  0.5000  1
  Tc  Tc1  1  0.0000  0.0000  0.0000  1
  Ag  Ag2  2  0.3333  0.6667  0.7355  1
  F  F3  6  0.1651  0.8349  0.1397  1
  F  F4  2  0.3333  0.6667  0.4839  1
]