data_SrFeCo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFeCo4
_chemical_formula_sum   'Sr1 Fe1 Co4'
_cell_volume   87.89
_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  Sr5  1  0.76  0.76  0.76  1.0
  Fe  Fe4  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.63  0.63  0.42  1.0
  Co  Co1  1  0.63  0.42  0.63  1.0
  Co  Co2  1  0.42  0.63  0.63  1.0
  Co  Co3  1  0.42  0.42  0.42  1.0

data_SrFeCo4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   12.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrFeCo4
_chemical_formula_sum   'Sr3 Fe3 Co12'
_cell_volume   263.66
_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  0.24  1.0
  Fe  Fe1  3  0.0  0.0  0.0  1.0
  Co  Co2  9  0.14  0.07  0.44  1.0
  Co  Co3  3  0.0  0.0  0.58  1.0

Sr Fe Co Co Co Co
SrFeCo4 crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 13-coordinate geometry to four equivalent Fe(1), three equivalent Co(2), and six equivalent Co(1) atoms. There is one shorter (2.88 Å) and three longer (3.12 Å) Sr(1)-Fe(1) bond lengths. All Sr(1)-Co(2) bond lengths are 2.88 Å. There are three shorter (2.53 Å) and three longer (2.80 Å) Sr(1)-Co(1) bond lengths. Fe(1) is bonded in a 10-coordinate geometry to four equivalent Sr(1), three equivalent Co(1), and three equivalent Co(2) atoms. All Fe(1)-Co(1) bond lengths are 2.60 Å. All Fe(1)-Co(2) bond lengths are 3.09 Å. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Sr(1), three equivalent Fe(1), and three equivalent Co(1) atoms. All Co(2)-Co(1) bond lengths are 1.81 Å. In the second Co site, Co(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), one Fe(1), one Co(2), and two equivalent Co(1) atoms. Both Co(1)-Co(1) bond lengths are 1.04 Å.