data_[Sm3Sc9Al24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.4339]
_cell_length_b [5.4339]
_cell_length_c [26.7198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SmSc3Al8]
_chemical_formula_sum '[Sm3 Sc9 Al24]'
_cell_volume [683.2666]
_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  0.1252  1.0
  Sc  Sc1  3  0.0000  0.0000  0.5022  1.0
  Sc  Sc2  3  0.0000  0.0000  0.6248  1.0
  Sc  Sc3  3  0.0000  0.0000  0.9989  1.0
  Al  Al4  9  0.0018  0.5009  0.5642  1.0
  Al  Al5  9  0.1673  0.3347  0.3938  1.0
  Al  Al6  3  0.0000  0.0000  0.3121  1.0
  Al  Al7  3  0.0000  0.0000  0.8130  1.0
]