data_ZrInGaFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInGaFe
_chemical_formula_sum   'Zr1 In1 Ga1 Fe1'
_cell_volume   67.84
_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
  Zr  Zr3  1  0.86  0.86  0.86  1.0
  In  In2  1  0.62  0.62  0.62  1.0
  Ga  Ga1  1  0.24  0.24  0.24  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_ZrInGaFe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   11.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrInGaFe
_chemical_formula_sum   'Zr3 In3 Ga3 Fe3'
_cell_volume   203.51
_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
  Zr  Zr0  3  0.0  0.0  0.14  1.0
  In  In1  3  0.0  0.0  0.38  1.0
  Ga  Ga2  3  0.0  0.0  0.76  1.0
  Fe  Fe3  3  0.0  0.0  0.0  1.0

Zr In Ga Fe
ZrFeInGa crystallizes in the trigonal R3m space group. Zr(1) is bonded in a distorted single-bond geometry to one Fe(1), four equivalent In(1), and three equivalent Ga(1) atoms. The Zr(1)-Fe(1) bond length is 1.62 Å. There is one shorter (2.66 Å) and three longer (2.86 Å) Zr(1)-In(1) bond lengths. All Zr(1)-Ga(1) bond lengths are 2.70 Å. Fe(1) is bonded in a single-bond geometry to one Zr(1), three equivalent In(1), and four equivalent Ga(1) atoms. All Fe(1)-In(1) bond lengths are 2.70 Å. There is one shorter (2.66 Å) and three longer (2.86 Å) Fe(1)-Ga(1) bond lengths. In(1) is bonded in a 10-coordinate geometry to four equivalent Zr(1), three equivalent Fe(1), and three equivalent Ga(1) atoms. All In(1)-Ga(1) bond lengths are 2.70 Å. Ga(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), four equivalent Fe(1), and three equivalent In(1) atoms.