data_SrFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   150.52
_cell_angle_beta   63.01
_cell_angle_gamma   125.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFe3
_chemical_formula_sum   'Sr1 Fe3'
_cell_volume   61.88
_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
  Sr  Sr3  1  0.37  0.0  0.98  1.0
  Fe  Fe0  1  0.0  0.71  0.14  1.0
  Fe  Fe1  1  0.37  0.88  0.68  1.0
  Fe  Fe2  1  0.0  0.0  0.4  1.0

data_SrFe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.92
_cell_length_c   5.39
_cell_angle_alpha   117.16
_cell_angle_beta   104.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFe3
_chemical_formula_sum   'Sr1 Fe3'
_cell_volume   61.88
_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
  Sr  Sr0  1  0.98  0.98  0.35  1.0
  Fe  Fe1  1  0.14  0.43  0.43  1.0
  Fe  Fe2  1  0.4  0.4  0.4  1.0
  Fe  Fe3  1  0.68  0.8  0.17  1.0

Sr Fe Fe Fe
Sr Fe Fe Fe 0 2 o - o 1 3 o + o 
SrFe3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SrFe3 cluster. Sr(1) is bonded in a single-bond geometry to one Fe(1) and one Fe(2) atom. The Sr(1)-Fe(1) bond length is 2.07 Å. The Sr(1)-Fe(2) bond length is 1.10 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Sr(1) and one Fe(3) atom. The Fe(1)-Fe(3) bond length is 0.77 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Sr(1) atom. In the third Fe site, Fe(3) is bonded in a distorted single-bond geometry to one Fe(1) atom.