data_[Tl4Pd4F12]
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 [P2_1/c]
_cell_length_a [7.5604]
_cell_length_b [4.4974]
_cell_length_c [12.8356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlPdF3]
_chemical_formula_sum '[Tl4 Pd4 F12]'
_cell_volume [380.3741]
_cell_formula_units_Z [4]
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  4  0.3011  0.0098  0.8096  1.0
  Pd  Pd1  4  0.1372  0.7460  0.4959  1.0
  F  F2  4  0.1268  0.0021  0.3671  1.0
  F  F3  4  0.1300  0.0363  0.1207  1.0
  F  F4  4  0.3938  0.5720  0.1168  1.0
]