data_[Sm20Ag8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.7886]
_cell_length_b [7.4625]
_cell_length_c [7.8266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sm5(AgAu)2]
_chemical_formula_sum '[Sm20 Ag8 Au8]'
_cell_volume [980.5559]
_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  16  0.1381  0.1734  0.6758  1.0
  Sm  Sm1  4  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  8  0.2135  0.0000  0.0000  1.0
  Au  Au3  8  0.0000  0.1266  0.3643  1.0
]