data_Sr2CdFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CdFe
_chemical_formula_sum   'Sr2 Cd1 Fe1'
_cell_volume   104.2
_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  Sr2  1  0.6  0.6  0.6  1.0
  Sr  Sr3  1  0.73  0.73  0.73  1.0
  Cd  Cd0  1  0.87  0.87  0.87  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0

data_Sr2CdFe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   12.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr2CdFe
_chemical_formula_sum   'Sr6 Cd3 Fe3'
_cell_volume   312.59
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.27  1.0
  Sr  Sr1  3  0.0  0.0  0.4  1.0
  Cd  Cd2  3  0.0  0.0  0.13  1.0
  Fe  Fe3  3  0.0  0.0  0.0  1.0

Sr Sr Cd Fe
Sr Sr Cd Fe 0 1 o o o 1 2 o o o 2 3 + + + 
Sr2FeCd crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one Sr(2), three equivalent Fe(1), and three equivalent Cd(1) atoms. The Sr(1)-Sr(2) bond length is 1.72 Å. All Sr(1)-Fe(1) bond lengths are 3.16 Å. All Sr(1)-Cd(1) bond lengths are 3.17 Å. In the second Sr site, Sr(2) is bonded in a distorted single-bond geometry to one Sr(1) and one Cd(1) atom. The Sr(2)-Cd(1) bond length is 1.72 Å. Fe(1) is bonded in a distorted single-bond geometry to three equivalent Sr(1) and one Cd(1) atom. The Fe(1)-Cd(1) bond length is 1.72 Å. Cd(1) is bonded in a distorted linear geometry to one Sr(2), three equivalent Sr(1), and one Fe(1) atom.