data_[Sm12Al12Au4]
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 [C2/m]
_cell_length_a [11.0198]
_cell_length_b [4.5493]
_cell_length_c [14.8160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3Al3Au]
_chemical_formula_sum '[Sm12 Al12 Au4]'
_cell_volume [694.9641]
_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  0.0312  0.5000  0.3793  1
  Sm  Sm1  4  0.1039  0.5000  0.9230  1
  Sm  Sm2  4  0.2432  0.5000  0.2294  1
  Al  Al3  4  0.0373  0.0000  0.2323  1
  Al  Al4  4  0.1065  0.0000  0.0768  1
  Al  Al5  4  0.1346  0.0000  0.5378  1
  Au  Au6  4  0.2489  0.0000  0.3935  1
]