data_[Ti2Cu10Pd16]
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 [I-4]
_cell_length_a [7.3757]
_cell_length_b [7.3757]
_cell_length_c [7.6883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [TiCu5Pd8]
_chemical_formula_sum '[Ti2 Cu10 Pd16]'
_cell_volume [418.2505]
_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  2  0.0000  0.5000  0.7500  1
  Cu  Cu1  8  0.1151  0.2081  0.0825  1
  Cu  Cu2  2  0.0000  0.0000  0.5000  1
  Pd  Pd3  8  0.0685  0.3311  0.4123  1
  Pd  Pd4  8  0.0939  0.1848  0.7549  1
]