data_[Sm6Zn16Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2483]
_cell_length_b [9.3772]
_cell_length_c [13.1087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm3Zn8Pd3]
_chemical_formula_sum '[Sm6 Zn16 Pd6]'
_cell_volume [522.2164]
_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
[
  Sm  Sm0  4  0.0000  0.0000  0.1757  1.0
  Sm  Sm1  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn2  8  0.0000  0.2763  0.3752  1.0
  Zn  Zn3  8  0.0000  0.3625  0.1787  1.0
  Pd  Pd4  4  0.0000  0.2303  0.0000  1.0
  Pd  Pd5  2  0.0000  0.5000  0.5000  1.0
]