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 [Pm]
_cell_length_a [4.4815]
_cell_length_b [17.7169]
_cell_length_c [5.3603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5342]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TlPdF3]
_chemical_formula_sum '[Tl1 Pd1 F3]'
_cell_volume [395.8930]
_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  0.5326  0.0000  0.0244  1
  Pd  Pd1  1  0.1228  0.0000  0.4728  1
  F  F2  2  0.3012  0.0767  0.2709  1
  F  F3  1  0.8858  0.0000  0.7281  1
]