data_[Ti4Zn2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0175]
_cell_length_b [3.9806]
_cell_length_c [6.3026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9529]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2ZnPd8]
_chemical_formula_sum '[Ti4 Zn2 Pd16]'
_cell_volume [338.1311]
_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  0.2187  0.0000  0.6643  1.0
  Zn  Zn1  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd2  4  0.0419  0.0000  0.7330  1.0
  Pd  Pd3  4  0.0996  0.5000  0.4614  1.0
  Pd  Pd4  4  0.1495  0.0000  0.2081  1.0
  Pd  Pd5  4  0.1771  0.5000  0.9181  1.0
]