data_[Ti4Cd2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8773]
_cell_length_b [3.9594]
_cell_length_c [8.4793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2942]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2CdPd6]
_chemical_formula_sum '[Ti4 Cd2 Pd12]'
_cell_volume [286.0644]
_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  0.1895  0.5000  0.7478  1.0
  Cd  Cd1  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd2  4  0.0078  0.0000  0.8285  1.0
  Pd  Pd3  4  0.1647  0.5000  0.0572  1.0
  Pd  Pd4  4  0.1656  0.5000  0.3886  1.0
]