data_Y2InFe
_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   Y2InFe
_chemical_formula_sum   'Y2 In1 Fe1'
_cell_volume   79.33
_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
  Y  Y2  1  0.41  0.41  0.41  1.0
  Y  Y3  1  0.71  0.71  0.71  1.0
  In  In1  1  0.12  0.12  0.12  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_Y2InFe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   11.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y2InFe
_chemical_formula_sum   'Y6 In3 Fe3'
_cell_volume   238.0
_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
  Y  Y0  3  0.0  0.0  0.29  1.0
  Y  Y1  3  0.0  0.0  0.59  1.0
  In  In2  3  0.0  0.0  0.88  1.0
  Fe  Fe3  3  0.0  0.0  0.0  1.0

Y Y In Fe
Y Y In Fe 0 3 o o + 0 3 o + o 0 3 + o o 0 2 o o + 0 2 o + o 0 2 + o o 0 1 - o o 0 1 o - o 0 1 o o - 1 3 o + + 1 3 + o + 1 3 + + o 1 2 o + + 1 2 + o + 1 2 + + o 2 3 o o o 
Y2FeIn crystallizes in the trigonal R3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 11-coordinate geometry to four equivalent Y(2), three equivalent Fe(1), and four equivalent In(1) atoms. There are three shorter (2.82 Å) and one longer (3.48 Å) Y(1)-Y(2) bond length. All Y(1)-Fe(1) bond lengths are 2.93 Å. There are three shorter (2.82 Å) and one longer (3.48 Å) Y(1)-In(1) bond length. In the second Y site, Y(2) is bonded in a 11-coordinate geometry to four equivalent Y(1), four equivalent Fe(1), and three equivalent In(1) atoms. There are three shorter (2.82 Å) and one longer (3.48 Å) Y(2)-Fe(1) bond length. All Y(2)-In(1) bond lengths are 2.93 Å. Fe(1) is bonded in a single-bond geometry to three equivalent Y(1), four equivalent Y(2), and one In(1) atom. The Fe(1)-In(1) bond length is 1.37 Å. In(1) is bonded in a single-bond geometry to three equivalent Y(2), four equivalent Y(1), and one Fe(1) atom.