data_MgZn4Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn4Re
_chemical_formula_sum   'Mg1 Zn4 Re1'
_cell_volume   88.55
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.66  0.66  0.41  1.0
  Zn  Zn3  1  0.66  0.41  0.66  1.0
  Zn  Zn4  1  0.41  0.66  0.66  1.0
  Zn  Zn5  1  0.41  0.41  0.41  1.0
  Re  Re1  1  0.77  0.77  0.77  1.0

data_MgZn4Re
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   12.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgZn4Re
_chemical_formula_sum   'Mg3 Zn12 Re3'
_cell_volume   265.65
_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
  Mg  Mg0  3  0.0  0.0  0.0  1.0
  Zn  Zn1  9  0.16  0.08  0.42  1.0
  Zn  Zn2  3  0.0  0.0  0.59  1.0
  Re  Re3  3  0.0  0.0  0.23  1.0

Mg Zn Zn Zn Zn Re
MgReZn4 crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 10-coordinate geometry to four equivalent Re(1), three equivalent Zn(1), and three equivalent Zn(2) atoms. There is one shorter (2.83 Å) and three longer (3.15 Å) Mg(1)-Re(1) bond lengths. All Mg(1)-Zn(1) bond lengths are 2.43 Å. All Mg(1)-Zn(2) bond lengths are 3.06 Å. Re(1) is bonded in a 13-coordinate geometry to four equivalent Mg(1), three equivalent Zn(2), and six equivalent Zn(1) atoms. All Re(1)-Zn(2) bond lengths are 2.90 Å. There are three shorter (2.44 Å) and three longer (2.80 Å) Re(1)-Zn(1) bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to one Mg(1), two equivalent Re(1), one Zn(2), and two equivalent Zn(1) atoms. The Zn(1)-Zn(2) bond length is 2.13 Å. Both Zn(1)-Zn(1) bond lengths are 1.23 Å. In the second Zn site, Zn(2) is bonded in a 9-coordinate geometry to three equivalent Mg(1), three equivalent Re(1), and three equivalent Zn(1) atoms.