data_[Ti4Sb2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2399]
_cell_length_b [4.0524]
_cell_length_c [6.3330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8576]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2SbPd8]
_chemical_formula_sum '[Ti4 Sb2 Pd16]'
_cell_volume [351.5435]
_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  0.2169  0.0000  0.6604  1.0
  Sb  Sb1  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd2  4  0.0428  0.0000  0.7341  1.0
  Pd  Pd3  4  0.0992  0.5000  0.4650  1.0
  Pd  Pd4  4  0.1559  0.0000  0.2210  1.0
  Pd  Pd5  4  0.1798  0.5000  0.9196  1.0
]