data_[Sm16Al24Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.5165]
_cell_length_b [9.0924]
_cell_length_c [15.8624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Sm2Al3Au]
_chemical_formula_sum '[Sm16 Al24 Au8]'
_cell_volume [1084.0843]
_cell_formula_units_Z [8]
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  0.2451  0.0000  0.5000  1.0
  Sm  Sm1  8  0.2500  0.2500  0.2500  1.0
  Al  Al2  16  0.0000  0.2488  0.4162  1.0
  Al  Al3  8  0.0000  0.0000  0.1656  1.0
  Au  Au4  8  0.0000  0.0000  0.3312  1.0
]