data_[Ni20Mo4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Mo  2.1600  1.4500  0.7750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.1102]
_cell_length_b [7.1306]
_cell_length_c [8.4122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ni5MoPd]
_chemical_formula_sum '[Ni20 Mo4 Pd4]'
_cell_volume [348.2310]
_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
[
  Ni  Ni0  8  0.1130  0.0641  0.1561  1
  Ni  Ni1  8  0.1739  0.3987  0.0365  1
  Ni  Ni2  4  0.0000  0.4138  0.2500  1
  Mo  Mo3  4  0.0000  0.2495  0.7500  1
  Pd  Pd4  4  0.2500  0.2500  0.5000  1
]