data_LiReOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   2.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReOs2
_chemical_formula_sum   'Li1 Re1 Os2'
_cell_volume   56.32
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.85  0.0  0.0  1.0
  Os  Os1  1  0.42  0.82  0.36  1.0
  Os  Os2  1  0.42  0.18  0.36  1.0

data_LiReOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   103.8
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReOs2
_chemical_formula_sum   'Li1 Re1 Os2'
_cell_volume   56.32
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  -0.0  0.85  0.0  1.0
  Os  Os2  1  0.36  0.42  0.18  1.0
  Os  Os3  1  0.36  0.42  0.82  1.0

Li Re Os Os
LiReOs2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted single-bond geometry to one Re(1), two equivalent Os(1), and two equivalent Os(2) atoms. The Li(1)-Re(1) bond length is 0.71 Å. There is one shorter (2.51 Å) and one longer (2.89 Å) Li(1)-Os(1) bond length. There is one shorter (2.17 Å) and one longer (2.60 Å) Li(1)-Os(2) bond length. Re(1) is bonded in a single-bond geometry to one Li(1), two equivalent Os(1), and two equivalent Os(2) atoms. There is one shorter (2.17 Å) and one longer (2.60 Å) Re(1)-Os(1) bond length. There is one shorter (2.51 Å) and one longer (2.89 Å) Re(1)-Os(2) bond length. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Re(1), two equivalent Os(1), and two equivalent Os(2) atoms. Both Os(1)-Os(1) bond lengths are 2.73 Å. There is one shorter (1.70 Å) and one longer (2.91 Å) Os(1)-Os(2) bond length. In the second Os site, Os(2) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Re(1), two equivalent Os(1), and two equivalent Os(2) atoms. Both Os(2)-Os(2) bond lengths are 2.73 Å.