data_[Sm4Fe8Ni8B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [5.0701]
_cell_length_b [8.7241]
_cell_length_c [7.0499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [SmFe2Ni2B]
_chemical_formula_sum '[Sm4 Fe8 Ni8 B4]'
_cell_volume [311.8334]
_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  2  0.0000  0.0000  0.5058  1.0
  Sm  Sm1  2  0.0000  0.0000  0.9976  1.0
  Fe  Fe2  4  0.2500  0.2500  0.2847  1.0
  Fe  Fe3  2  0.0000  0.5000  0.2877  1.0
  Fe  Fe4  2  0.0000  0.5000  0.7134  1.0
  Ni  Ni5  4  0.0000  0.3364  0.0011  1.0
  Ni  Ni6  4  0.2500  0.2500  0.7095  1.0
  B  B7  4  0.0000  0.3345  0.5024  1.0
]