data_[Sm2Fe20Re4]
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
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7006]
_cell_length_b [8.4786]
_cell_length_c [8.7082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm(Fe5Re)2]
_chemical_formula_sum '[Sm2 Fe20 Re4]'
_cell_volume [347.0594]
_cell_formula_units_Z [2]
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  0.0000  1.0
  Fe  Fe1  8  0.2500  0.2500  0.2500  1.0
  Fe  Fe2  4  0.0000  0.2781  0.5000  1.0
  Fe  Fe3  4  0.0000  0.3598  0.0000  1.0
  Fe  Fe4  4  0.0000  0.5000  0.2671  1.0
  Re  Re5  4  0.0000  0.0000  0.3579  1.0
]