data_[Y9Al3Fe24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0374]
_cell_length_b [5.0374]
_cell_length_c [24.6439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Y3AlFe8]
_chemical_formula_sum '[Y9 Al3 Fe24]'
_cell_volume [541.5710]
_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  0.3755  1.0
  Y  Y1  3  0.0000  0.0000  0.5027  1.0
  Y  Y2  3  0.0000  0.0000  0.9962  1.0
  Al  Al3  3  0.0000  0.0000  0.8733  1.0
  Fe  Fe4  9  0.0039  0.5019  0.4404  1.0
  Fe  Fe5  9  0.1669  0.3337  0.2684  1.0
  Fe  Fe6  3  0.0000  0.0000  0.1879  1.0
  Fe  Fe7  3  0.0000  0.0000  0.6880  1.0
]