data_Fe4CoSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4CoSn
_chemical_formula_sum   'Fe4 Co1 Sn1'
_cell_volume   79.03
_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
  Fe  Fe1  1  0.26  0.26  0.55  1.0
  Fe  Fe2  1  0.26  0.55  0.26  1.0
  Fe  Fe3  1  0.55  0.26  0.26  1.0
  Fe  Fe4  1  0.55  0.55  0.55  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Sn  Sn5  1  0.11  0.11  0.11  1.0

data_Fe4CoSn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   11.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Fe4CoSn
_chemical_formula_sum   'Fe12 Co3 Sn3'
_cell_volume   237.08
_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
  Fe  Fe0  9  0.1  0.19  0.64  1.0
  Fe  Fe1  3  0.0  0.0  0.45  1.0
  Co  Co2  3  0.0  0.0  0.0  1.0
  Sn  Sn3  3  0.0  0.0  0.89  1.0

Fe Fe Fe Fe Co Sn
Fe Fe Fe Fe Co Sn 0 2 o o o 0 1 o o o 0 3 o o o 0 3 o - o 0 3 - o o 1 2 o o o 1 3 o o o 1 3 o o - 1 3 - o o 2 3 o o o 2 3 o o - 2 3 o - o 3 5 o o + 3 5 o + o 3 5 + o o 3 4 o + + 3 4 + o + 3 4 + + o 4 5 o o o 
Fe4CoSn crystallizes in the trigonal R3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to two equivalent Fe(1), three equivalent Fe(2), one Co(1), and one Sn(1) atom. Both Fe(1)-Fe(1) bond lengths are 1.41 Å. There is one shorter (2.43 Å) and two longer (2.97 Å) Fe(1)-Fe(2) bond lengths. The Fe(1)-Co(1) bond length is 1.99 Å. The Fe(1)-Sn(1) bond length is 2.21 Å. In the second Fe site, Fe(2) is bonded in a 15-coordinate geometry to nine equivalent Fe(1), three equivalent Co(1), and three equivalent Sn(1) atoms. All Fe(2)-Co(1) bond lengths are 3.09 Å. All Fe(2)-Sn(1) bond lengths are 3.07 Å. Co(1) is bonded in a distorted single-bond geometry to three equivalent Fe(1), three equivalent Fe(2), and one Sn(1) atom. The Co(1)-Sn(1) bond length is 1.29 Å. Sn(1) is bonded in a single-bond geometry to three equivalent Fe(1), three equivalent Fe(2), and one Co(1) atom.