data_[Y9Sc3Al24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.5111]
_cell_length_b [5.5111]
_cell_length_c [27.0708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Y3ScAl8]
_chemical_formula_sum '[Y9 Sc3 Al24]'
_cell_volume [712.0461]
_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
[
  Y  Y0  3  0.0000  0.0000  0.0015  1.0
  Y  Y1  3  0.0000  0.0000  0.4992  1.0
  Y  Y2  3  0.0000  0.0000  0.6249  1.0
  Sc  Sc3  3  0.0000  0.0000  0.1245  1.0
  Al  Al4  9  0.0004  0.5002  0.0635  1.0
  Al  Al5  9  0.1673  0.3346  0.8948  1.0
  Al  Al6  3  0.0000  0.0000  0.3127  1.0
  Al  Al7  3  0.0000  0.0000  0.8123  1.0
]