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 [C2/m]
_cell_length_a [8.4957]
_cell_length_b [11.4118]
_cell_length_c [4.3512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7190]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlPdF3]
_chemical_formula_sum '[Tl4 Pd4 F12]'
_cell_volume [380.0667]
_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  0.0000  0.1934  0.0000  1
  Pd  Pd1  4  0.1472  0.5000  0.3886  1
  F  F2  8  0.2200  0.1253  0.7072  1
  F  F3  4  0.0000  0.3786  0.5000  1
]