data_[Sm4Fe1Sn8]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4686]
_cell_length_b [4.5282]
_cell_length_c [16.6611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sm4FeSn8]
_chemical_formula_sum '[Sm4 Fe1 Sn8]'
_cell_volume [337.1314]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0976  1.0
  Sm  Sm1  1  0.0000  0.5000  0.6020  1.0
  Sm  Sm2  1  0.5000  0.0000  0.8996  1.0
  Sm  Sm3  1  0.5000  0.5000  0.3965  1.0
  Fe  Fe4  1  0.0000  0.0000  0.3049  1.0
  Sn  Sn5  1  0.0000  0.0000  0.4525  1.0
  Sn  Sn6  1  0.0000  0.0000  0.7490  1.0
  Sn  Sn7  1  0.0000  0.5000  0.2394  1.0
  Sn  Sn8  1  0.0000  0.5000  0.9374  1.0
  Sn  Sn9  1  0.5000  0.0000  0.2394  1.0
  Sn  Sn10  1  0.5000  0.0000  0.5708  1.0
  Sn  Sn11  1  0.5000  0.5000  0.0623  1.0
  Sn  Sn12  1  0.5000  0.5000  0.7517  1.0
]