data_ZrInRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.89
_cell_length_b   9.89
_cell_length_c   9.89
_cell_angle_alpha   16.99
_cell_angle_beta   16.99
_cell_angle_gamma   16.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInRe2
_chemical_formula_sum   'Zr1 In1 Re2'
_cell_volume   71.96
_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  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.61  1.0
  Re  Re1  1  0.0  0.0  0.95  1.0
  Re  Re2  1  0.0  0.0  0.27  1.0

data_ZrInRe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.06
_cell_length_b   2.92
_cell_length_c   9.89
_cell_angle_alpha   90.0
_cell_angle_beta   99.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrInRe2
_chemical_formula_sum   'Zr2 In2 Re4'
_cell_volume   143.92
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Zr0  2  0.0  0.0  0.0  1.0
  In  In1  2  0.0  0.0  0.39  1.0
  Re  Re2  2  0.0  0.0  0.05  1.0
  Re  Re3  2  0.0  0.0  0.73  1.0

Zr In Re Re
Zr In Re Re 0 2 o o - 0 3 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 1 2 o o o 2 3 o o + 3 3 o + - 3 3 + - o 3 3 + o - 
ZrRe2In crystallizes in the monoclinic Cm space group. Zr(1) is bonded in a single-bond geometry to one Re(1) and one Re(2) atom. The Zr(1)-Re(1) bond length is 0.53 Å. The Zr(1)-Re(2) bond length is 2.72 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a single-bond geometry to one Zr(1) and one In(1) atom. The Re(1)-In(1) bond length is 3.32 Å. In the second Re site, Re(2) is bonded in a distorted single-bond geometry to one Zr(1) and one In(1) atom. The Re(2)-In(1) bond length is 3.32 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to one Re(1); one Re(2); and six In(1,1) atoms to form a mixture of corner and edge-sharing InIn6Re2 hexagonal bipyramids. All In(1)-In(1,1) bond lengths are 2.92 Å. In the second In site, In(1) is bonded to one Re(1); one Re(2); and six In(1,1) atoms to form a mixture of corner and edge-sharing InIn6Re2 hexagonal bipyramids. The In(1)-Re(1) bond length is 3.32 Å. The In(1)-Re(2) bond length is 3.32 Å. Both In(1)-In(1) bond lengths are 2.92 Å.