data_[Sm20Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.0736]
_cell_length_b [6.9499]
_cell_length_c [7.1098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm5Au2]
_chemical_formula_sum '[Sm20 Au8]'
_cell_volume [839.8024]
_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  0.0926  0.1183  0.9500  1.0
  Sm  Sm1  8  0.2233  0.4382  0.2933  1.0
  Sm  Sm2  4  0.0000  0.4485  0.2500  1.0
  Au  Au3  8  0.1123  0.2901  0.5605  1.0
]