data_[Sm8Si12Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3757]
_cell_length_b [18.3071]
_cell_length_c [6.9866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm2Si3Au2]
_chemical_formula_sum '[Sm8 Si12 Au8]'
_cell_volume [559.6689]
_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  0.0511  0.2500  1
  Sm  Sm1  4  0.0000  0.1532  0.7500  1
  Si  Si2  8  0.0000  0.4438  0.0781  1
  Si  Si3  4  0.0000  0.2229  0.2500  1
  Au  Au4  8  0.0000  0.3155  0.5499  1
]