data_YTiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTiOs2
_chemical_formula_sum   'Y1 Ti1 Os2'
_cell_volume   68.29
_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
  Y  Y3  1  0.0  0.0  0.37  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.62  0.0  0.75  1.0
  Os  Os1  1  0.62  0.0  0.98  1.0

data_YTiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTiOs2
_chemical_formula_sum   'Y1 Ti1 Os2'
_cell_volume   68.29
_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
  Y  Y0  1  0.0  0.0  0.37  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.62  0.0  0.75  1.0
  Os  Os3  1  0.62  0.0  0.98  1.0

Y Ti Os Os
Y Ti Os Os 0 0 + + o 0 0 o + o 0 0 + o o 0 3 - o - 0 2 - o o 0 1 o o o 1 3 - o - 1 2 - o - 2 3 o o o 
YTiOs2 crystallizes in the triclinic P1 space group. Y(1) is bonded in a 11-coordinate geometry to six equivalent Y(1), one Ti(1), two equivalent Os(1), and two equivalent Os(2) atoms. There are four shorter (2.91 Å) and two longer (3.24 Å) Y(1)-Y(1) bond lengths. The Y(1)-Ti(1) bond length is 3.19 Å. There is one shorter (3.50 Å) and one longer (3.78 Å) Y(1)-Os(1) bond length. There is one shorter (3.50 Å) and one longer (3.78 Å) Y(1)-Os(2) bond length. Ti(1) is bonded in a distorted linear geometry to one Y(1), two equivalent Os(1), and two equivalent Os(2) atoms. There is one shorter (2.48 Å) and one longer (2.86 Å) Ti(1)-Os(1) bond length. There is one shorter (1.12 Å) and one longer (1.80 Å) Ti(1)-Os(2) bond length. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 11-coordinate geometry to two equivalent Y(1), two equivalent Ti(1), one Os(2), and six equivalent Os(1) atoms. The Os(1)-Os(2) bond length is 2.09 Å. There are four shorter (2.91 Å) and two longer (3.24 Å) Os(1)-Os(1) bond lengths. In the second Os site, Os(2) is bonded in a 2-coordinate geometry to two equivalent Y(1), two equivalent Ti(1), and one Os(1) atom.