data_Y(GaFe3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   6.71
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y(GaFe3)4
_chemical_formula_sum   'Y1 Ga4 Fe12'
_cell_volume   232.4
_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  Y16  1  0.0  0.0  0.0  1.0
  Ga  Ga12  1  0.94  0.06  0.94  1.0
  Ga  Ga13  1  0.94  0.94  0.94  1.0
  Ga  Ga14  1  0.94  0.94  0.06  1.0
  Ga  Ga15  1  0.06  0.94  0.94  1.0
  Fe  Fe0  1  0.87  0.0  0.94  1.0
  Fe  Fe1  1  0.0  0.87  0.94  1.0
  Fe  Fe2  1  0.94  0.87  0.0  1.0
  Fe  Fe3  1  0.94  0.0  0.87  1.0
  Fe  Fe4  1  0.87  0.94  0.0  1.0
  Fe  Fe5  1  0.0  0.94  0.87  1.0
  Fe  Fe6  1  0.0  0.0  0.25  1.0
  Fe  Fe7  1  0.0  0.0  0.5  1.0
  Fe  Fe8  1  0.25  0.0  0.0  1.0
  Fe  Fe9  1  0.5  0.0  0.0  1.0
  Fe  Fe10  1  0.0  0.5  0.0  1.0
  Fe  Fe11  1  0.0  0.25  0.0  1.0

data_Y(GaFe3)4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   10.95
_cell_length_b   10.95
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y(GaFe3)4
_chemical_formula_sum   'Y3 Ga12 Fe36'
_cell_volume   697.19
_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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  0.0  1.0
  Ga  Ga1  9  0.08  0.04  0.98  1.0
  Ga  Ga2  3  0.0  0.0  0.94  1.0
  Fe  Fe3  18  0.0  0.06  0.94  1.0
  Fe  Fe4  9  0.17  0.08  0.08  1.0
  Fe  Fe5  9  0.17  0.33  0.83  1.0

Y Ga Ga Ga Ga Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe
Y(Fe3Ga)4 is Tungsten structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three Y(Fe3Ga)4 clusters. Y(1) is bonded in a single-bond geometry to six equivalent Fe(1), one Ga(2), and three equivalent Ga(1) atoms. All Y(1)-Fe(1) bond lengths are 0.82 Å. The Y(1)-Ga(2) bond length is 0.43 Å. All Y(1)-Ga(1) bond lengths are 0.82 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one Y(1), one Fe(1), one Ga(1), and one Ga(2) atom. The Fe(1)-Fe(1) bond length is 0.70 Å. The Fe(1)-Ga(1) bond length is 0.49 Å. The Fe(1)-Ga(2) bond length is 0.70 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(3) and one Ga(1) atom. The Fe(2)-Fe(3) bond length is 1.67 Å. The Fe(2)-Ga(1) bond length is 1.04 Å. In the third Fe site, Fe(3) is bonded in a single-bond geometry to one Fe(2) atom. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 4-coordinate geometry to one Y(1), one Fe(2), and two equivalent Fe(1) atoms. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one Y(1) and six equivalent Fe(1) atoms.