data_ZrCo2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   3.32
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCo2Re
_chemical_formula_sum   'Zr1 Co2 Re1'
_cell_volume   57.79
_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  0.55  1.0
  Co  Co0  1  0.48  0.66  0.16  1.0
  Co  Co1  1  0.0  0.0  0.49  1.0
  Re  Re2  1  0.48  0.66  0.62  1.0

data_ZrCo2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   3.32
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCo2Re
_chemical_formula_sum   'Zr1 Co2 Re1'
_cell_volume   57.79
_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  0.55  1.0
  Co  Co1  1  0.0  0.0  0.49  1.0
  Co  Co2  1  0.48  0.66  0.16  1.0
  Re  Re3  1  0.48  0.66  0.62  1.0

Zr Co Co Re
ZrReCo2 crystallizes in the triclinic P1 space group. Zr(1) is bonded in a single-bond geometry to two equivalent Re(1) and one Co(2) atom. There is one shorter (1.87 Å) and one longer (1.96 Å) Zr(1)-Re(1) bond length. The Zr(1)-Co(2) bond length is 0.31 Å. Re(1) is bonded in a distorted water-like geometry to two equivalent Zr(1) and two equivalent Co(1) atoms. There is one shorter (2.68 Å) and one longer (3.20 Å) Re(1)-Co(1) bond length. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 10-coordinate geometry to two equivalent Re(1), four equivalent Co(1), and four equivalent Co(2) atoms. There are two shorter (2.96 Å) and two longer (3.32 Å) Co(1)-Co(1) bond lengths. There are a spread of Co(1)-Co(2) bond distances ranging from 2.66-3.31 Å. In the second Co site, Co(2) is bonded in a single-bond geometry to one Zr(1) and four equivalent Co(1) atoms.