data_[Cu10Si4Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2413]
_cell_length_b [8.6421]
_cell_length_c [4.9571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu5(SiPd6)2]
_chemical_formula_sum '[Cu10 Si4 Pd24]'
_cell_volume [557.3005]
_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
[
  Si  Si0  4  0.0000  0.2516  0.0000  1.0
  Cu  Cu1  4  0.1944  0.5000  0.8822  1.0
  Cu  Cu2  4  0.2038  0.0000  0.5373  1.0
  Cu  Cu3  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd4  8  0.0968  0.2599  0.6533  1.0
  Pd  Pd5  8  0.1943  0.2627  0.2192  1.0
  Pd  Pd6  4  0.0531  0.5000  0.2686  1.0
  Pd  Pd7  4  0.1030  0.0000  0.0017  1.0
]