data_[Ti4Cu16Pd2]
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 [13.4195]
_cell_length_b [3.7367]
_cell_length_c [5.9349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0174]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2Cu8Pd]
_chemical_formula_sum '[Ti4 Cu16 Pd2]'
_cell_volume [286.0501]
_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  0.2238  0.0000  0.6437  1.0
  Cu  Cu1  4  0.0392  0.0000  0.7226  1.0
  Cu  Cu2  4  0.0877  0.5000  0.4558  1.0
  Cu  Cu3  4  0.1393  0.0000  0.1746  1.0
  Cu  Cu4  4  0.1783  0.5000  0.9031  1.0
  Pd  Pd5  2  0.0000  0.5000  0.0000  1.0
]