data_[Sm4Ge8Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [17.3063]
_cell_length_b [4.2636]
_cell_length_c [6.7335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sm(GePd2)2]
_chemical_formula_sum '[Sm4 Ge8 Pd16]'
_cell_volume [496.8480]
_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  4  0.1403  0.7500  0.5232  1
  Ge  Ge1  4  0.0422  0.2500  0.7634  1
  Ge  Ge2  4  0.2169  0.7500  0.0445  1
  Pd  Pd3  4  0.0271  0.2500  0.3572  1
  Pd  Pd4  4  0.0717  0.7500  0.0036  1
  Pd  Pd5  4  0.1873  0.2500  0.8317  1
  Pd  Pd6  4  0.1980  0.2500  0.2458  1
]