data_[Sm4Al12Au8]
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 [15.5017]
_cell_length_b [4.2109]
_cell_length_c [8.2597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6601]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmAl3Au2]
_chemical_formula_sum '[Sm4 Al12 Au8]'
_cell_volume [485.9861]
_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  0.1439  0.0000  0.0896  1.0
  Al  Al1  4  0.0201  0.0000  0.3579  1.0
  Al  Al2  4  0.1306  0.5000  0.7677  1.0
  Al  Al3  4  0.1791  0.5000  0.4520  1.0
  Au  Au4  4  0.0165  0.5000  0.1768  1.0
  Au  Au5  4  0.1840  0.0000  0.6623  1.0
]