data_ZrRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRe3
_chemical_formula_sum   'Zr1 Re3'
_cell_volume   65.29
_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
  Re  Re0  1  0.58  0.0  0.69  1.0
  Re  Re1  1  0.58  0.0  0.37  1.0
  Re  Re2  1  0.0  0.0  0.53  1.0

data_ZrRe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRe3
_chemical_formula_sum   'Zr1 Re3'
_cell_volume   65.29
_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  Zr0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.0  0.53  1.0
  Re  Re2  1  0.58  0.0  0.37  1.0
  Re  Re3  1  0.58  0.0  0.69  1.0

Zr Re Re Re
ZrRe3 crystallizes in the triclinic P1 space group. Zr(1) is bonded in a 10-coordinate geometry to six equivalent Zr(1), two equivalent Re(1), and two equivalent Re(2) atoms. There are four shorter (2.78 Å) and two longer (3.15 Å) Zr(1)-Zr(1) bond lengths. There is one shorter (3.06 Å) and one longer (3.24 Å) Zr(1)-Re(1) bond length. There is one shorter (3.56 Å) and one longer (3.72 Å) Zr(1)-Re(2) bond length. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded in a 3-coordinate geometry to two equivalent Zr(1) and two equivalent Re(3) atoms. There is one shorter (1.86 Å) and one longer (2.15 Å) Re(1)-Re(3) bond length. In the second Re site, Re(2) is bonded in a 2-coordinate geometry to two equivalent Zr(1) and two equivalent Re(3) atoms. There is one shorter (1.86 Å) and one longer (2.15 Å) Re(2)-Re(3) bond length. In the third Re site, Re(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Re(1) and two equivalent Re(2) atoms.