data_YCdReSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCdReSe
_chemical_formula_sum   'Y1 Cd1 Re1 Se1'
_cell_volume   80.87
_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  0.43  0.43  0.43  1.0
  Cd  Cd3  1  0.15  0.15  0.15  1.0
  Re  Re1  1  0.72  0.72  0.72  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_YCdReSe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   11.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YCdReSe
_chemical_formula_sum   'Y3 Cd3 Re3 Se3'
_cell_volume   242.61
_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  0.57  1.0
  Cd  Cd1  3  0.0  0.0  0.85  1.0
  Re  Re2  3  0.0  0.0  0.28  1.0
  Se  Se3  3  0.0  0.0  0.0  1.0

Y Cd Re Se
Y Cd Re Se 0 1 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 3 o o + 0 3 o + o 0 3 + o o 0 2 - o o 0 2 o - o 0 2 o o - 0 2 o o o 1 3 o o o 1 2 o - - 1 2 - o - 1 2 - - o 2 3 o + + 2 3 + o + 2 3 + + o 2 3 + + + 
YReCdSe crystallizes in the trigonal R3m space group. Y(1) is bonded in a 11-coordinate geometry to four equivalent Re(1), four equivalent Cd(1), and three equivalent Se(1) atoms. There are three shorter (2.86 Å) and one longer (3.37 Å) Y(1)-Re(1) bond length. There are three shorter (2.86 Å) and one longer (3.37 Å) Y(1)-Cd(1) bond length. All Y(1)-Se(1) bond lengths are 3.04 Å. Re(1) is bonded in a 11-coordinate geometry to four equivalent Y(1), three equivalent Cd(1), and four equivalent Se(1) atoms. All Re(1)-Cd(1) bond lengths are 3.04 Å. There are three shorter (2.86 Å) and one longer (3.37 Å) Re(1)-Se(1) bond length. Cd(1) is bonded in a single-bond geometry to four equivalent Y(1), three equivalent Re(1), and one Se(1) atom. The Cd(1)-Se(1) bond length is 1.77 Å. Se(1) is bonded in a single-bond geometry to three equivalent Y(1), four equivalent Re(1), and one Cd(1) atom.