data_YZrBiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrBiOs
_chemical_formula_sum   'Y1 Zr1 Bi1 Os1'
_cell_volume   89.88
_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  Y2  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.56  0.56  0.56  1.0
  Bi  Bi0  1  0.78  0.78  0.78  1.0
  Os  Os1  1  0.33  0.33  0.33  1.0

data_YZrBiOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   12.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YZrBiOs
_chemical_formula_sum   'Y3 Zr3 Bi3 Os3'
_cell_volume   269.65
_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  0.0  1.0
  Zr  Zr1  3  0.0  0.0  0.44  1.0
  Bi  Bi2  3  0.0  0.0  0.22  1.0
  Os  Os3  3  0.0  0.0  0.67  1.0

Y Zr Bi Os
YZrOsBi crystallizes in the trigonal R3m space group. Y(1) is bonded in a 4-coordinate geometry to three equivalent Os(1) and four equivalent Bi(1) atoms. All Y(1)-Os(1) bond lengths are 2.90 Å. There is one shorter (2.74 Å) and three longer (3.21 Å) Y(1)-Bi(1) bond lengths. Zr(1) is bonded in a 2-coordinate geometry to one Os(1) and four equivalent Bi(1) atoms. The Zr(1)-Os(1) bond length is 2.74 Å. There is one shorter (2.74 Å) and three longer (3.21 Å) Zr(1)-Bi(1) bond lengths. Os(1) is bonded in a 4-coordinate geometry to three equivalent Y(1), one Zr(1), and three equivalent Bi(1) atoms. All Os(1)-Bi(1) bond lengths are 3.21 Å. Bi(1) is bonded in a 11-coordinate geometry to four equivalent Y(1), four equivalent Zr(1), and three equivalent Os(1) atoms.