data_As2RhSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2RhSe
_chemical_formula_sum   'As2 Rh1 Se1'
_cell_volume   69.55
_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
  As  As0  1  0.9  0.9  0.9  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.63  0.63  0.63  1.0
  Se  Se3  1  0.26  0.26  0.26  1.0

data_As2RhSe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   11.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   As2RhSe
_chemical_formula_sum   'As6 Rh3 Se3'
_cell_volume   208.64
_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
  As  As0  3  0.0  0.0  0.0  1.0
  As  As1  3  0.0  0.0  0.1  1.0
  Rh  Rh2  3  0.0  0.0  0.37  1.0
  Se  Se3  3  0.0  0.0  0.74  1.0

As As Rh Se
As As Rh Se 0 1 + + + 0 2 + o o 0 2 o + o 0 2 o o + 0 2 o o o 0 3 + + o 0 3 + o + 0 3 o + + 1 2 o - - 1 2 - o - 1 2 - - o 1 3 o o o 1 3 o o - 1 3 o - o 1 3 - o o 2 3 o o + 2 3 o + o 2 3 + o o 
RhAs2Se crystallizes in the trigonal R3m space group. Rh(1) is bonded in a 10-coordinate geometry to three equivalent As(2), four equivalent As(1), and three equivalent Se(1) atoms. All Rh(1)-As(2) bond lengths are 2.69 Å. There are three shorter (2.78 Å) and one longer (2.98 Å) Rh(1)-As(1) bond length. All Rh(1)-Se(1) bond lengths are 2.69 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a single-bond geometry to four equivalent Rh(1), one As(2), and three equivalent Se(1) atoms. The As(1)-As(2) bond length is 1.18 Å. All As(1)-Se(1) bond lengths are 2.69 Å. In the second As site, As(2) is bonded in a distorted single-bond geometry to three equivalent Rh(1), one As(1), and four equivalent Se(1) atoms. There are three shorter (2.78 Å) and one longer (2.98 Å) As(2)-Se(1) bond length. Se(1) is bonded in a 10-coordinate geometry to three equivalent Rh(1), three equivalent As(1), and four equivalent As(2) atoms.