data_BaCrRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   3.91
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   98.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCrRe2
_chemical_formula_sum   'Ba1 Cr1 Re2'
_cell_volume   85.62
_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
  Ba  Ba0  1  0.51  0.96  0.72  1.0
  Cr  Cr1  1  0.64  0.0  0.28  1.0
  Re  Re2  1  0.72  0.96  0.34  1.0
  Re  Re3  1  0.18  0.0  0.09  1.0

data_BaCrRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   3.91
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   98.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCrRe2
_chemical_formula_sum   'Ba1 Cr1 Re2'
_cell_volume   85.62
_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
  Ba  Ba0  1  0.51  0.96  0.72  1.0
  Cr  Cr1  1  0.64  0.0  0.28  1.0
  Re  Re2  1  0.18  0.0  0.09  1.0
  Re  Re3  1  0.72  0.96  0.34  1.0

Ba Cr Re Re
BaCrRe2 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1), two equivalent Re(1), and two equivalent Re(2) atoms. There are two shorter (2.97 Å) and two longer (3.91 Å) Ba(1)-Ba(1) bond lengths. There is one shorter (2.99 Å) and one longer (3.37 Å) Ba(1)-Re(1) bond length. There is one shorter (3.08 Å) and one longer (3.15 Å) Ba(1)-Re(2) bond length. Cr(1) is bonded in a distorted single-bond geometry to one Re(1) and two equivalent Re(2) atoms. The Cr(1)-Re(1) bond length is 0.49 Å. There is one shorter (1.83 Å) and one longer (2.33 Å) Cr(1)-Re(2) bond length. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a single-bond geometry to two equivalent Ba(1) and one Cr(1) atom. In the second Re site, Re(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Cr(1) atoms.