data_[Sm20Ni8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.6805]
_cell_length_b [7.6805]
_cell_length_c [13.3497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Sm5Ni2Pd]
_chemical_formula_sum '[Sm20 Ni8 Pd4]'
_cell_volume [787.4939]
_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
[
  Sm  Sm0  16  0.1649  0.3351  0.1387  1
  Sm  Sm1  4  0.0000  0.0000  0.0000  1
  Ni  Ni2  8  0.1238  0.6238  0.0000  1
  Pd  Pd3  4  0.0000  0.0000  0.2500  1
]