data_[Ti4Pd2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  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 [10.3147]
_cell_length_b [6.2811]
_cell_length_c [5.1175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5160]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2PdF8]
_chemical_formula_sum '[Ti4 Pd2 F16]'
_cell_volume [324.8729]
_cell_formula_units_Z [2]
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
[
  Ti  Ti0  4  0.2250  0.0000  0.4454  1
  Pd  Pd1  2  0.0000  0.0000  0.0000  1
  F  F2  8  0.1522  0.2930  0.3407  1
  F  F3  4  0.1127  0.0000  0.6926  1
  F  F4  4  0.1888  0.5000  0.8250  1
]