data_[Ti16Zn24Pd8]
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 [Fmmm]
_cell_length_a [5.3787]
_cell_length_b [8.8584]
_cell_length_c [15.2987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ti2Zn3Pd]
_chemical_formula_sum '[Ti16 Zn24 Pd8]'
_cell_volume [728.9285]
_cell_formula_units_Z [8]
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  8  0.2466  0.0000  0.5000  1.0
  Ti  Ti1  8  0.2500  0.2500  0.2500  1.0
  Zn  Zn2  16  0.0000  0.2475  0.0821  1.0
  Zn  Zn3  8  0.0000  0.0000  0.1640  1.0
  Pd  Pd4  8  0.0000  0.0000  0.3328  1.0
]