data_CrReOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrReOs2
_chemical_formula_sum   'Cr1 Re1 Os2'
_cell_volume   56.98
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.43  1.0
  Os  Os1  1  0.42  0.0  0.11  1.0
  Os  Os2  1  0.42  0.0  0.75  1.0

data_CrReOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrReOs2
_chemical_formula_sum   'Cr1 Re1 Os2'
_cell_volume   56.98
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.0  0.43  1.0
  Os  Os2  1  0.42  0.0  0.11  1.0
  Os  Os3  1  0.42  0.0  0.75  1.0

Cr Re Os Os
CrReOs2 crystallizes in the triclinic P1 space group. Cr(1) is bonded in a 2-coordinate geometry to two equivalent Os(1) and two equivalent Os(2) atoms. There is one shorter (1.47 Å) and one longer (1.81 Å) Cr(1)-Os(1) bond length. There is one shorter (2.45 Å) and one longer (2.67 Å) Cr(1)-Os(2) bond length. Re(1) is bonded in a 10-coordinate geometry to six equivalent Re(1), two equivalent Os(1), and two equivalent Os(2) atoms. There are four shorter (2.67 Å) and two longer (2.84 Å) Re(1)-Re(1) bond lengths. There is one shorter (3.08 Å) and one longer (3.26 Å) Re(1)-Os(1) bond length. There is one shorter (3.08 Å) and one longer (3.26 Å) Re(1)-Os(2) bond length. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a distorted water-like geometry to two equivalent Cr(1) and two equivalent Re(1) atoms. In the second Os site, Os(2) is bonded in a 2-coordinate geometry to two equivalent Cr(1) and two equivalent Re(1) atoms.