data_ScBiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   3.01
_cell_angle_alpha   104.73
_cell_angle_beta   104.73
_cell_angle_gamma   115.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBiOs2
_chemical_formula_sum   'Sc1 Bi1 Os2'
_cell_volume   72.74
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.95  0.0  0.0  1.0
  Os  Os1  1  0.76  0.67  0.33  1.0
  Os  Os2  1  0.76  0.33  0.33  1.0

data_ScBiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   5.2
_cell_length_c   5.51
_cell_angle_alpha   117.42
_cell_angle_beta   104.73
_cell_angle_gamma   92.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBiOs2
_chemical_formula_sum   'Sc1 Bi1 Os2'
_cell_volume   72.74
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.0  0.95  1.0
  Os  Os2  1  0.65  0.33  0.09  1.0
  Os  Os3  1  1.0  0.67  0.43  1.0

Sc Bi Os Os
Sc Bi Os Os 0 1 - o o 0 2 - - o 0 2 - - - 1 2 o - o 1 2 o - - 2 3 o o o 
ScOs2Bi crystallizes in the triclinic P1 space group. Sc(1) is bonded in a single-bond geometry to one Os(2), two equivalent Os(1), and one Bi(1) atom. The Sc(1)-Os(2) bond length is 3.51 Å. There is one shorter (1.96 Å) and one longer (2.34 Å) Sc(1)-Os(1) bond length. The Sc(1)-Bi(1) bond length is 0.28 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 5-coordinate geometry to two equivalent Sc(1), one Os(2), and two equivalent Bi(1) atoms. The Os(1)-Os(2) bond length is 1.92 Å. There is one shorter (1.98 Å) and one longer (2.26 Å) Os(1)-Bi(1) bond length. In the second Os site, Os(2) is bonded in a 3-coordinate geometry to one Sc(1), one Os(1), and one Bi(1) atom. The Os(2)-Bi(1) bond length is 2.55 Å. Bi(1) is bonded in a single-bond geometry to one Sc(1), one Os(2), and two equivalent Os(1) atoms.