data_Zn4GaRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn4GaRe
_chemical_formula_sum   'Zn4 Ga1 Re1'
_cell_volume   87.46
_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
  Zn  Zn2  1  0.65  0.65  0.4  1.0
  Zn  Zn3  1  0.65  0.4  0.65  1.0
  Zn  Zn4  1  0.4  0.65  0.65  1.0
  Zn  Zn5  1  0.4  0.4  0.4  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.76  0.76  0.76  1.0

data_Zn4GaRe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   12.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Zn4GaRe
_chemical_formula_sum   'Zn12 Ga3 Re3'
_cell_volume   262.39
_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
  Zn  Zn0  9  0.17  0.08  0.44  1.0
  Zn  Zn1  3  0.0  0.0  0.6  1.0
  Ga  Ga2  3  0.0  0.0  0.0  1.0
  Re  Re3  3  0.0  0.0  0.24  1.0

Zn Zn Zn Zn Ga Re
ReZn4Ga crystallizes in the trigonal R3m space group. Re(1) is bonded in a 13-coordinate geometry to three equivalent Zn(2), six equivalent Zn(1), and four equivalent Ga(1) atoms. All Re(1)-Zn(2) bond lengths are 2.90 Å. There are three shorter (2.51 Å) and three longer (2.73 Å) Re(1)-Zn(1) bond lengths. There is one shorter (2.91 Å) and three longer (3.10 Å) Re(1)-Ga(1) bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to two equivalent Re(1), one Zn(2), two equivalent Zn(1), and one Ga(1) atom. The Zn(1)-Zn(2) bond length is 2.16 Å. Both Zn(1)-Zn(1) bond lengths are 1.24 Å. The Zn(1)-Ga(1) bond length is 2.49 Å. In the second Zn site, Zn(2) is bonded in a distorted q6 geometry to three equivalent Re(1), three equivalent Zn(1), and three equivalent Ga(1) atoms. All Zn(2)-Ga(1) bond lengths are 2.98 Å. Ga(1) is bonded in a 10-coordinate geometry to four equivalent Re(1), three equivalent Zn(1), and three equivalent Zn(2) atoms.