data_AsRhSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   6.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsRhSe
_chemical_formula_sum   'As4 Rh4 Se4'
_cell_volume   217.4
_cell_formula_units_Z   4
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  0.72  0.29  0.29  1.0
  As  As1  1  0.29  0.29  0.72  1.0
  As  As2  1  0.29  0.72  0.29  1.0
  As  As3  1  0.73  0.73  0.73  1.0
  Rh  Rh4  1  0.04  0.98  0.98  1.0
  Rh  Rh5  1  0.98  0.98  0.04  1.0
  Rh  Rh6  1  0.98  0.04  0.98  1.0
  Rh  Rh7  1  0.03  0.03  0.03  1.0
  Se  Se8  1  0.31  0.71  0.71  1.0
  Se  Se9  1  0.71  0.71  0.31  1.0
  Se  Se10  1  0.71  0.31  0.71  1.0
  Se  Se11  1  0.3  0.3  0.3  1.0

data_AsRhSe
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.5
_cell_length_b   8.5
_cell_length_c   10.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   AsRhSe
_chemical_formula_sum   'As12 Rh12 Se12'
_cell_volume   652.19
_cell_formula_units_Z   12
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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  9  0.19  0.81  0.1  1.0
  As  As1  3  0.0  0.0  0.73  1.0
  Rh  Rh2  9  0.04  0.02  1.0  1.0
  Rh  Rh3  3  0.0  0.0  0.03  1.0
  Se  Se4  9  0.06  0.53  0.24  1.0
  Se  Se5  3  0.0  0.0  0.3  1.0

As As As As Rh Rh Rh Rh Se Se Se Se
As As As As Rh Rh Rh Rh Se Se Se Se 0 11 o o o 0 10 o o o 0 9 o o o 0 7 + o o 0 6 o o - 0 5 o - o 1 7 o o + 1 4 o - o 1 6 - o o 1 11 o o o 1 10 o o o 1 8 o o o 2 7 o + o 2 4 o o - 2 5 - o o 2 11 o o o 2 9 o o o 2 8 o o o 3 10 o o o 3 9 o o o 3 8 o o o 3 4 + o o 3 6 o + o 3 5 o o + 4 6 - + o 4 7 o + + 4 5 - o + 4 8 o o o 5 7 + + o 5 6 o + - 5 9 o o o 6 7 + o + 6 10 o o o 7 11 o o o 
RhAsSe crystallizes in the trigonal R3 space group. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 3-coordinate geometry to one Rh(2), two equivalent Rh(1), and one Se(1) atom. The Rh(1)-Rh(2) bond length is 0.42 Å. Both Rh(1)-Rh(1) bond lengths are 0.48 Å. The Rh(1)-Se(1) bond length is 2.81 Å. In the second Rh site, Rh(2) is bonded in a 3-coordinate geometry to three equivalent Rh(1) and one Se(2) atom. The Rh(2)-Se(2) bond length is 2.81 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 3-coordinate geometry to one Se(2) and two equivalent Se(1) atoms. The As(1)-Se(2) bond length is 2.52 Å. Both As(1)-Se(1) bond lengths are 2.52 Å. In the second As site, As(2) is bonded in a 3-coordinate geometry to three equivalent Se(1) atoms. All As(2)-Se(1) bond lengths are 2.52 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted rectangular see-saw-like geometry to one Rh(1), one As(2), and two equivalent As(1) atoms. In the second Se site, Se(2) is bonded in a distorted rectangular see-saw-like geometry to one Rh(2) and three equivalent As(1) atoms.