data_[Ti8Cu4Pd4Au8]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.4425]
_cell_length_b [13.6937]
_cell_length_c [5.3711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ti2CuPdAu2]
_chemical_formula_sum '[Ti8 Cu4 Pd4 Au8]'
_cell_volume [400.2913]
_cell_formula_units_Z [4]
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  0.1994  0.6571  0.0000  1
  Cu  Cu1  4  0.0000  0.0000  0.2500  1
  Pd  Pd2  4  0.0000  0.5000  0.2500  1
  Au  Au3  8  0.1989  0.1484  0.5000  1
]