data_PtRhSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtRhSe2
_chemical_formula_sum   'Pt1 Rh1 Se2'
_cell_volume   66.06
_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
  Pt  Pt0  1  0.0  0.0  0.22  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.6  0.6  0.54  1.0
  Se  Se3  1  0.6  0.6  0.9  1.0

data_PtRhSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PtRhSe2
_chemical_formula_sum   'Pt2 Rh2 Se4'
_cell_volume   132.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Pt  Pt1  2  0.0  0.0  0.22  1.0
  Se  Se2  2  0.1  0.5  0.54  1.0
  Se  Se3  2  0.1  0.5  0.9  1.0

Pt Rh Se Se
RhPtSe2 crystallizes in the monoclinic Cm space group. Rh(1) is bonded in a 5-coordinate geometry to one Pt(1) and four equivalent Se(2) atoms. The Rh(1)-Pt(1) bond length is 1.44 Å. There are a spread of Rh(1)-Se(2) bond distances ranging from 1.91-2.79 Å. Pt(1) is bonded in a 1-coordinate geometry to one Rh(1) and three equivalent Se(1) atoms. There is one shorter (2.74 Å) and two longer (3.09 Å) Pt(1)-Se(1) bond lengths. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to three equivalent Pt(1) and one Se(2) atom. The Se(1)-Se(2) bond length is 2.33 Å. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to four equivalent Rh(1) and one Se(1) atom.