data_YMn2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   145.89
_cell_angle_beta   126.05
_cell_angle_gamma   65.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn2Os
_chemical_formula_sum   'Y1 Mn2 Os1'
_cell_volume   63.5
_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  0.0  1.0
  Mn  Mn0  1  0.0  0.37  0.94  1.0
  Mn  Mn1  1  0.53  0.0  0.45  1.0
  Os  Os2  1  0.0  0.0  0.39  1.0

data_YMn2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.73
_cell_length_c   5.21
_cell_angle_alpha   116.97
_cell_angle_beta   107.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn2Os
_chemical_formula_sum   'Y1 Mn2 Os1'
_cell_volume   63.5
_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  0.0  1.0
  Mn  Mn1  1  0.06  0.43  0.43  1.0
  Mn  Mn2  1  0.08  0.55  0.08  1.0
  Os  Os3  1  0.61  0.61  0.61  1.0

Y Mn Mn Os
Y Mn Mn Os 0 1 o o - 0 2 - o - 0 2 o o o 0 3 o o o 1 3 o + + 1 3 o o o 1 2 - o o 2 3 o o o 2 3 + o o 
YMn2Os crystallizes in the triclinic P1 space group. Y(1) is bonded in a 4-coordinate geometry to one Mn(1), two equivalent Mn(2), and one Os(1) atom. The Y(1)-Mn(1) bond length is 2.18 Å. There is one shorter (2.35 Å) and one longer (2.44 Å) Y(1)-Mn(2) bond length. The Y(1)-Os(1) bond length is 2.02 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 3-coordinate geometry to one Y(1), one Mn(2), and two equivalent Os(1) atoms. The Mn(1)-Mn(2) bond length is 2.15 Å. There is one shorter (1.68 Å) and one longer (1.90 Å) Mn(1)-Os(1) bond length. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to two equivalent Y(1), one Mn(1), and two equivalent Os(1) atoms. There is one shorter (2.59 Å) and one longer (2.65 Å) Mn(2)-Os(1) bond length. Os(1) is bonded in a 3-coordinate geometry to one Y(1), two equivalent Mn(1), and two equivalent Mn(2) atoms.