data_[Sm3Al1Cu8]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.2434]
_cell_length_b [5.2434]
_cell_length_c [8.4477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Sm3AlCu8]
_chemical_formula_sum '[Sm3 Al1 Cu8]'
_cell_volume [201.1366]
_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  0.9111  1
  Sm  Sm1  1  0.6667  0.3333  0.0682  1
  Sm  Sm2  1  0.6667  0.3333  0.4565  1
  Al  Al3  1  0.0000  0.0000  0.5281  1
  Cu  Cu4  3  0.0047  0.5023  0.7493  1
  Cu  Cu5  3  0.1651  0.3303  0.2579  1
  Cu  Cu6  1  0.3333  0.6667  0.0090  1
  Cu  Cu7  1  0.3333  0.6667  0.5055  1
]