data_[Sm3Al3Cu6Au12]
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
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4620]
_cell_length_b [4.4620]
_cell_length_c [25.2922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [SmAl(CuAu2)2]
_chemical_formula_sum '[Sm3 Al3 Cu6 Au12]'
_cell_volume [436.0836]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Al  Al1  3  -0.0000  -0.0000  0.5000  1.0
  Cu  Cu2  6  0.0000  0.0000  0.2414  1.0
  Au  Au3  6  0.0000  0.0000  0.1310  1.0
  Au  Au4  6  0.0000  0.0000  0.3979  1.0
]