data_[Sm2Ti2V2Fe20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.7018]
_cell_length_b [8.5429]
_cell_length_c [8.6063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [SmTiVFe10]
_chemical_formula_sum '[Sm2 Ti2 V2 Fe20]'
_cell_volume [345.6841]
_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  0.0005  1.0
  Ti  Ti1  2  0.0000  0.0000  0.6413  1.0
  V  V2  2  0.0000  0.0000  0.3506  1.0
  Fe  Fe3  8  0.2495  0.2484  0.2504  1.0
  Fe  Fe4  4  0.0000  0.2730  0.4995  1.0
  Fe  Fe5  4  0.0000  0.3590  0.0013  1.0
  Fe  Fe6  2  0.0000  0.5000  0.2737  1.0
  Fe  Fe7  2  0.0000  0.5000  0.7307  1.0
]