data_[Sm2V4Fe20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6809]
_cell_length_b [8.4730]
_cell_length_c [8.5418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm(VFe5)2]
_chemical_formula_sum '[Sm2 V4 Fe20]'
_cell_volume [338.7790]
_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
  V  V1  4  0.0000  0.0000  0.3593  1
  Fe  Fe2  8  0.2500  0.2500  0.2500  1
  Fe  Fe3  4  0.0000  0.2720  0.5000  1
  Fe  Fe4  4  0.0000  0.3596  0.0000  1
  Fe  Fe5  4  0.0000  0.5000  0.2697  1
]