data_[Ni4Sn20Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1584]
_cell_length_b [7.0562]
_cell_length_c [9.5717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NiSn5Pd]
_chemical_formula_sum '[Ni4 Sn20 Pd4]'
_cell_volume [691.0072]
_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  4  0.0000  0.0000  0.0000  1
  Sn  Sn1  8  0.1082  0.3367  0.0265  1
  Sn  Sn2  8  0.2371  0.1083  0.6211  1
  Sn  Sn3  4  0.0000  0.0736  0.2500  1
  Pd  Pd4  4  0.0000  0.4722  0.2500  1
]