data_RhSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77
_cell_length_b   8.77
_cell_length_c   8.77
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RhSe2
_chemical_formula_sum   'Rh8 Se16'
_cell_volume   477.34
_cell_formula_units_Z   8
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
  Rh  Rh0  1  0.72  0.72  0.69  1.0
  Rh  Rh1  1  0.69  0.72  0.72  1.0
  Rh  Rh2  1  0.69  0.69  0.69  1.0
  Rh  Rh3  1  0.72  0.69  0.72  1.0
  Rh  Rh4  1  0.79  0.79  0.82  1.0
  Rh  Rh5  1  0.82  0.79  0.79  1.0
  Rh  Rh6  1  0.82  0.82  0.82  1.0
  Rh  Rh7  1  0.79  0.82  0.79  1.0
  Se  Se8  1  0.65  0.55  0.65  1.0
  Se  Se9  1  0.55  0.55  0.55  1.0
  Se  Se10  1  0.55  0.65  0.65  1.0
  Se  Se11  1  0.65  0.65  0.55  1.0
  Se  Se12  1  0.3  0.98  0.3  1.0
  Se  Se13  1  0.3  0.3  0.63  1.0
  Se  Se14  1  0.98  0.3  0.3  1.0
  Se  Se15  1  0.63  0.3  0.3  1.0
  Se  Se16  1  0.3  0.3  0.98  1.0
  Se  Se17  1  0.3  0.63  0.3  1.0
  Se  Se18  1  0.2  0.53  0.2  1.0
  Se  Se19  1  0.2  0.2  0.88  1.0
  Se  Se20  1  0.53  0.2  0.2  1.0
  Se  Se21  1  0.88  0.2  0.2  1.0
  Se  Se22  1  0.2  0.2  0.53  1.0
  Se  Se23  1  0.2  0.88  0.2  1.0

data_RhSe2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.77
_cell_length_b   8.77
_cell_length_c   21.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   RhSe2
_chemical_formula_sum   'Rh24 Se48'
_cell_volume   1432.02
_cell_formula_units_Z   24
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
  Rh  Rh0  9  0.01  0.02  0.2  1.0
  Rh  Rh1  9  0.02  0.01  0.29  1.0
  Rh  Rh2  3  0.0  0.0  0.18  1.0
  Rh  Rh3  3  0.0  0.0  0.31  1.0
  Se  Se4  9  0.07  0.03  0.38  1.0
  Se  Se5  9  0.11  0.22  0.59  1.0
  Se  Se6  9  0.11  0.22  0.69  1.0
  Se  Se7  9  0.22  0.11  0.8  1.0
  Se  Se8  9  0.22  0.11  0.91  1.0
  Se  Se9  3  0.0  0.0  0.45  1.0

Rh Rh Rh Rh Rh Rh Rh Rh Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se
Rh Rh Rh Rh Rh Rh Rh Rh Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 4 7 o o o 4 5 o o o 4 6 o o o 5 7 o o o 5 6 o o o 6 7 o o o 8 10 o o o 8 11 o o o 8 9 o o o 9 11 o o o 9 10 o o o 10 11 o o o 12 23 o o o 13 19 o o o 13 22 o o o 14 21 o o o 15 21 o o o 15 20 o o o 16 19 o o o 17 23 o o o 17 18 o o o 