data_[Sm4Zn8Au40]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.5475]
_cell_length_b [13.3497]
_cell_length_c [13.3637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Sm(ZnAu5)2]
_chemical_formula_sum '[Sm4 Zn8 Au40]'
_cell_volume [989.6825]
_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  0.0000  0.0000  0.0000  1.0
  Zn  Zn1  8  0.2500  0.2500  0.0000  1.0
  Au  Au2  16  0.0000  0.1112  0.3956  1.0
  Au  Au3  16  0.0000  0.1745  0.1621  1.0
  Au  Au4  8  0.2500  0.0000  0.2500  1.0
]