data_YMnBiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnBiOs
_chemical_formula_sum   'Y1 Mn1 Bi1 Os1'
_cell_volume   79.85
_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  0.71  0.71  0.71  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.42  0.42  0.42  1.0
  Os  Os2  1  0.13  0.13  0.13  1.0

data_YMnBiOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   11.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YMnBiOs
_chemical_formula_sum   'Y3 Mn3 Bi3 Os3'
_cell_volume   239.56
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.29  1.0
  Mn  Mn1  3  0.0  0.0  0.0  1.0
  Bi  Bi2  3  0.0  0.0  0.58  1.0
  Os  Os3  3  0.0  0.0  0.87  1.0

Y Mn Bi Os
Y Mn Bi Os 0 2 o o + 0 2 o + o 0 2 + o o 0 3 o + + 0 3 + o + 0 3 + + o 0 1 o + + 0 1 + o + 0 1 + + o 1 3 o o o 1 2 o o - 1 2 o - o 1 2 - o o 2 3 o o + 2 3 o + o 2 3 + o o 
YMnOsBi crystallizes in the trigonal R3m space group. Y(1) is bonded in a 11-coordinate geometry to four equivalent Mn(1), three equivalent Os(1), and four equivalent Bi(1) atoms. There are three shorter (2.84 Å) and one longer (3.45 Å) Y(1)-Mn(1) bond length. All Y(1)-Os(1) bond lengths are 2.96 Å. There are three shorter (2.84 Å) and one longer (3.45 Å) Y(1)-Bi(1) bond length. Mn(1) is bonded in a single-bond geometry to four equivalent Y(1), one Os(1), and three equivalent Bi(1) atoms. The Mn(1)-Os(1) bond length is 1.50 Å. All Mn(1)-Bi(1) bond lengths are 2.96 Å. Os(1) is bonded in a single-bond geometry to three equivalent Y(1), one Mn(1), and four equivalent Bi(1) atoms. There are three shorter (2.84 Å) and one longer (3.45 Å) Os(1)-Bi(1) bond length. Bi(1) is bonded in a 11-coordinate geometry to four equivalent Y(1), three equivalent Mn(1), and four equivalent Os(1) atoms.