data_[Sm4Al3Au1]
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 [Pmm2]
_cell_length_a [3.8329]
_cell_length_b [4.5353]
_cell_length_c [11.8552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sm4Al3Au]
_chemical_formula_sum '[Sm4 Al3 Au1]'
_cell_volume [206.0855]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1473  1.0
  Sm  Sm1  1  0.0000  0.5000  0.8523  1.0
  Sm  Sm2  1  0.5000  0.0000  0.6546  1.0
  Sm  Sm3  1  0.5000  0.5000  0.3454  1.0
  Al  Al4  1  0.0000  0.0000  0.4345  1.0
  Al  Al5  1  0.0000  0.5000  0.5641  1.0
  Al  Al6  1  0.5000  0.0000  0.9330  1.0
  Au  Au7  1  0.5000  0.5000  0.0687  1.0
]