data_[Sm4Ga4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.0223]
_cell_length_b [4.9282]
_cell_length_c [9.2738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SmGaAu3]
_chemical_formula_sum '[Sm4 Ga4 Au12]'
_cell_volume [412.3511]
_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  0.2365  0.2500  0.0033  1.0
  Ga  Ga1  4  0.1059  0.2500  0.6682  1.0
  Au  Au2  4  0.0763  0.2500  0.3902  1.0
  Au  Au3  4  0.1046  0.7500  0.8491  1.0
  Au  Au4  4  0.1082  0.7500  0.1603  1.0
]