data_[Sm2Pd4Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.6905]
_cell_length_b [11.7644]
_cell_length_c [4.2441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sm(PdAu4)2]
_chemical_formula_sum '[Sm2 Pd4 Au16]'
_cell_volume [433.9125]
_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  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd1  4  0.0000  0.3847  0.0000  1.0
  Au  Au2  8  0.1768  0.1378  0.0000  1.0
  Au  Au3  4  0.0000  0.2481  0.5000  1.0
  Au  Au4  4  0.1637  0.5000  0.5000  1.0
]