data_[Sm9Y3Fe24]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.2008]
_cell_length_b [5.2008]
_cell_length_c [25.4857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sm3YFe8]
_chemical_formula_sum '[Sm9 Y3 Fe24]'
_cell_volume [597.0001]
_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  0.3749  1
  Sm  Sm1  3  0.0000  0.0000  0.5000  1
  Sm  Sm2  3  0.0000  0.0000  1.0000  1
  Y  Y3  3  0.0000  0.0000  0.8751  1
  Fe  Fe4  9  0.0011  0.5005  0.4382  1
  Fe  Fe5  9  0.1673  0.3347  0.2702  1
  Fe  Fe6  3  0.0000  0.0000  0.1878  1
  Fe  Fe7  3  0.0000  0.0000  0.6872  1
]