data_[Sm4Al16Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0540]
_cell_length_b [15.8170]
_cell_length_c [6.6132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SmAl4Fe]
_chemical_formula_sum '[Sm4 Al16 Fe4]'
_cell_volume [424.0535]
_cell_formula_units_Z [4]
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  4  0.0000  0.3820  0.2500  1.0
  Al  Al1  8  0.0000  0.1896  0.0552  1.0
  Al  Al2  4  0.0000  0.0000  0.0000  1.0
  Al  Al3  4  0.0000  0.4196  0.7500  1.0
  Fe  Fe4  4  0.0000  0.2719  0.7500  1.0
]