data_[Sm3Y6Al27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5722]
_cell_length_b [5.5722]
_cell_length_c [26.5175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [SmY2Al9]
_chemical_formula_sum '[Sm3 Y6 Al27]'
_cell_volume [713.0361]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Y  Y1  6  0.0000  0.0000  0.1418  1.0
  Al  Al2  18  0.0077  0.5039  0.9163  1.0
  Al  Al3  6  0.0000  0.0000  0.3351  1.0
  Al  Al4  3  -0.0000  -0.0000  0.5000  1.0
]