data_[Ti8Cu8Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [27.0459]
_cell_length_b [4.3677]
_cell_length_c [2.7104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti4Cu4Pd3]
_chemical_formula_sum '[Ti8 Cu8 Pd6]'
_cell_volume [320.0747]
_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  0.0547  0.5000  0.6900  1.0
  Ti  Ti1  4  0.1773  0.0000  0.7514  1.0
  Cu  Cu2  4  0.0917  0.0000  0.2369  1.0
  Cu  Cu3  4  0.2349  0.5000  0.7377  1.0
  Pd  Pd4  4  0.1453  0.5000  0.2325  1.0
  Pd  Pd5  2  0.0000  0.0000  0.0000  1.0
]