data_[Tl1Pd1F3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8611]
_cell_length_b [4.5925]
_cell_length_c [4.6689]
_cell_angle_alpha [99.9969]
_cell_angle_beta [96.5759]
_cell_angle_gamma [95.3649]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlPdF3]
_chemical_formula_sum '[Tl1 Pd1 F3]'
_cell_volume [80.4493]
_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  0.8083  0.6968  0.8346  1.0
  Pd  Pd1  1  0.2974  0.3431  0.4726  1.0
  F  F2  1  0.2915  0.0508  0.7464  1.0
  F  F3  1  0.3042  0.6223  0.1852  1.0
  F  F4  1  0.8535  0.0946  0.2116  1.0
]