data_Cr2RhSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2RhSe
_chemical_formula_sum   'Cr2 Rh1 Se1'
_cell_volume   52.66
_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
  Cr  Cr0  1  0.43  0.43  0.47  1.0
  Cr  Cr1  1  0.43  0.43  0.93  1.0
  Rh  Rh2  1  0.0  0.0  0.2  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Cr2RhSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2RhSe
_chemical_formula_sum   'Cr4 Rh2 Se2'
_cell_volume   105.32
_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
  Cr  Cr0  2  0.43  0.0  0.47  1.0
  Cr  Cr1  2  0.43  0.0  0.93  1.0
  Rh  Rh2  2  0.0  0.0  0.2  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

Cr Cr Rh Se
Cr Cr Rh Se 0 2 o o o 0 2 o + o 0 2 + o o 0 2 + + o 0 0 + o o 0 0 o + o 0 1 o o o 1 3 o o + 1 3 o + + 1 3 + o + 2 3 o o o 
Cr2RhSe crystallizes in the monoclinic Cm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 9-coordinate geometry to one Cr(2), four equivalent Cr(1), and four equivalent Rh(1) atoms. The Cr(1)-Cr(2) bond length is 2.88 Å. All Cr(1)-Cr(1) bond lengths are 2.87 Å. There are a spread of Cr(1)-Rh(1) bond distances ranging from 2.49-2.89 Å. In the second Cr site, Cr(2) is bonded in a 4-coordinate geometry to one Cr(1) and four equivalent Se(1) atoms. There are a spread of Cr(2)-Se(1) bond distances ranging from 1.83-2.34 Å. Rh(1) is bonded in a distorted single-bond geometry to four equivalent Cr(1) and one Se(1) atom. The Rh(1)-Se(1) bond length is 1.28 Å. Se(1) is bonded in a 5-coordinate geometry to four equivalent Cr(2) and one Rh(1) atom.