data_[Sm4Ga16Au8]
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 [17.4199]
_cell_length_b [4.4706]
_cell_length_c [6.9504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sm(Ga2Au)2]
_chemical_formula_sum '[Sm4 Ga16 Au8]'
_cell_volume [541.2759]
_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  0.1419  0.7500  0.5163  1
  Ga  Ga1  4  0.0387  0.2500  0.3551  1
  Ga  Ga2  4  0.0638  0.7500  0.9652  1
  Ga  Ga3  4  0.1819  0.2500  0.8259  1
  Ga  Ga4  4  0.1863  0.2500  0.2297  1
  Au  Au5  4  0.0317  0.2500  0.7424  1
  Au  Au6  4  0.2147  0.7500  0.0329  1
]