data_[Sm8Sn12Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.8029]
_cell_length_b [11.8934]
_cell_length_c [6.1805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Sm2Sn3Pd5]
_chemical_formula_sum '[Sm8 Sn12 Pd20]'
_cell_volume [867.6037]
_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  8  0.2272  0.3730  0.5000  1.0
  Sn  Sn1  8  0.1209  0.3621  0.0000  1.0
  Sn  Sn2  4  0.0000  0.0000  0.2500  1.0
  Pd  Pd3  8  0.0000  0.2288  0.2500  1.0
  Pd  Pd4  8  0.1612  0.1072  0.5000  1.0
  Pd  Pd5  4  0.0000  0.5000  0.2500  1.0
]