data_Sr2TaRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   3.55
_cell_length_c   9.29
_cell_angle_alpha   90.0
_cell_angle_beta   94.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TaRe
_chemical_formula_sum   'Sr2 Ta1 Re1'
_cell_volume   115.1
_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  0.42  0.0  0.63  1.0
  Sr  Sr2  1  0.47  0.78  0.88  1.0
  Ta  Ta3  1  0.11  0.0  0.36  1.0
  Re  Re0  1  0.32  0.78  0.31  1.0

data_Sr2TaRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.55
_cell_length_c   9.29
_cell_angle_alpha   90.0
_cell_angle_beta   94.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TaRe
_chemical_formula_sum   'Sr2 Ta1 Re1'
_cell_volume   115.1
_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  0.42  0.0  0.63  1.0
  Sr  Sr1  1  0.47  0.78  0.88  1.0
  Ta  Ta2  1  0.11  0.0  0.36  1.0
  Re  Re3  1  0.32  0.78  0.31  1.0

Sr Sr Ta Re
Sr Sr Ta Re 0 2 o o o 0 1 o - o 2 3 o - o 
Sr2TaRe crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 1-coordinate geometry to two equivalent Sr(2) and one Ta(1) atom. There is one shorter (2.43 Å) and one longer (3.59 Å) Sr(1)-Sr(2) bond length. The Sr(1)-Ta(1) bond length is 2.64 Å. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to two equivalent Sr(1), four equivalent Sr(2), and one Re(1) atom. There are two shorter (3.49 Å) and two longer (3.55 Å) Sr(2)-Sr(2) bond lengths. The Sr(2)-Re(1) bond length is 4.08 Å. Ta(1) is bonded in a distorted single-bond geometry to one Sr(1) and one Re(1) atom. The Ta(1)-Re(1) bond length is 1.22 Å. Re(1) is bonded in a single-bond geometry to one Sr(2) and one Ta(1) atom.