data_Sr2ZrRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   3.04
_cell_angle_alpha   91.96
_cell_angle_beta   91.96
_cell_angle_gamma   122.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZrRe
_chemical_formula_sum   'Sr2 Zr1 Re1'
_cell_volume   100.85
_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  0.4  0.25  0.52  1.0
  Sr  Sr2  1  0.4  0.75  0.52  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.02  0.0  0.0  1.0

data_Sr2ZrRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   6.04
_cell_length_c   6.28
_cell_angle_alpha   61.26
_cell_angle_beta   88.04
_cell_angle_gamma   85.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZrRe
_chemical_formula_sum   'Sr2 Zr1 Re1'
_cell_volume   100.85
_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  0.48  0.25  0.15  1.0
  Sr  Sr1  1  0.48  0.75  0.65  1.0
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.02  1.0

Sr Sr Zr Re
Sr Sr Zr Re 0 3 o o o 0 3 o o + 0 2 o o o 0 2 o o + 0 1 o - o 0 1 o o o 0 0 o o + 1 3 o + o 1 3 o + + 1 3 + + o 1 3 + + + 1 2 + + o 1 2 + + + 1 1 o o + 2 3 o o o 
Sr2ZrRe crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 2-coordinate geometry to two equivalent Sr(2) and two equivalent Re(1) atoms. There is one shorter (3.11 Å) and one longer (3.17 Å) Sr(1)-Sr(2) bond length. There is one shorter (2.50 Å) and one longer (2.59 Å) Sr(1)-Re(1) bond length. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), two equivalent Zr(1), and two equivalent Re(1) atoms. Both Sr(2)-Sr(2) bond lengths are 3.04 Å. There is one shorter (3.45 Å) and one longer (3.65 Å) Sr(2)-Zr(1) bond length. There is one shorter (3.80 Å) and one longer (3.82 Å) Sr(2)-Re(1) bond length. Zr(1) is bonded in a single-bond geometry to two equivalent Sr(2) and one Re(1) atom. The Zr(1)-Re(1) bond length is 0.11 Å. Re(1) is bonded in a single-bond geometry to two equivalent Sr(1), two equivalent Sr(2), and one Zr(1) atom.