data_SrZr2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   7.0
_cell_angle_alpha   110.3
_cell_angle_beta   110.3
_cell_angle_gamma   52.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Re
_chemical_formula_sum   'Sr1 Zr2 Re1'
_cell_volume   114.0
_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
  Sr  Sr1  1  0.04  0.0  0.75  1.0
  Zr  Zr2  1  0.76  0.0  0.77  1.0
  Zr  Zr3  1  0.9  0.0  0.95  1.0
  Re  Re0  1  0.6  0.0  0.65  1.0

data_SrZr2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.71
_cell_length_c   6.95
_cell_angle_alpha   70.85
_cell_angle_beta   72.44
_cell_angle_gamma   63.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Re
_chemical_formula_sum   'Sr1 Zr2 Re1'
_cell_volume   114.0
_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
  Sr  Sr0  1  0.0  0.29  0.75  1.0
  Zr  Zr1  1  0.0  0.95  0.95  1.0
  Zr  Zr2  1  0.0  0.98  0.77  1.0
  Re  Re3  1  0.0  0.95  0.65  1.0

Sr Zr Zr Re
Sr Zr Zr Re 0 1 - o o 1 3 o o o 1 2 o o o 
SrZr2Re crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SrZr2Re cluster. Sr(1) is bonded in a distorted single-bond geometry to one Zr(1) and one Zr(2) atom. The Sr(1)-Zr(1) bond length is 1.38 Å. The Sr(1)-Zr(2) bond length is 1.73 Å. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 3-coordinate geometry to one Sr(1), one Zr(2), and one Re(1) atom. The Zr(1)-Zr(2) bond length is 1.20 Å. The Zr(1)-Re(1) bond length is 0.92 Å. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to one Sr(1) and one Zr(1) atom. Re(1) is bonded in a single-bond geometry to one Zr(1) atom.