data_[Th4Pd4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  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 [7.9034]
_cell_length_b [8.1030]
_cell_length_c [6.6023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ThPdF4]
_chemical_formula_sum '[Th4 Pd4 F16]'
_cell_volume [421.0375]
_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
[
  Th  Th0  4  0.0000  0.2487  0.5000  1
  Pd  Pd1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  2  0.0000  0.5000  0.0000  1
  F  F3  8  0.2390  0.1831  0.3278  1
  F  F4  4  0.0623  0.5000  0.3317  1
  F  F5  4  0.0796  0.0000  0.6753  1
]