data_[Sm6Cr3Fe48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.4556]
_cell_length_b [8.4556]
_cell_length_c [12.5157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sm2CrFe16]
_chemical_formula_sum '[Sm6 Cr3 Fe48]'
_cell_volume [774.9478]
_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  0.3416  1
  Sm  Sm1  3  0.0000  0.0000  0.6540  1
  Cr  Cr2  3  0.0000  0.0000  0.9089  1
  Fe  Fe3  18  0.0341  0.3673  0.6672  1
  Fe  Fe4  9  0.0017  0.5009  0.4998  1
  Fe  Fe5  9  0.0029  0.5014  0.8410  1
  Fe  Fe6  9  0.1684  0.3369  0.4927  1
  Fe  Fe7  3  0.0000  0.0000  0.0915  1
]