data_NiRh2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiRh2Se
_chemical_formula_sum   'Ni1 Rh2 Se1'
_cell_volume   58.63
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.42  0.0  0.09  1.0
  Rh  Rh2  1  0.42  0.0  0.64  1.0
  Se  Se3  1  0.0  0.0  0.37  1.0

data_NiRh2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.76
_cell_length_b   4.87
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiRh2Se
_chemical_formula_sum   'Ni2 Rh4 Se2'
_cell_volume   117.31
_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
  Ni  Ni0  2  0.0  0.0  0.0  1.0
  Rh  Rh1  2  0.42  0.0  0.09  1.0
  Rh  Rh2  2  0.42  0.0  0.64  1.0
  Se  Se3  2  0.0  0.0  0.37  1.0

Ni Rh Rh Se
Rh2NiSe crystallizes in the triclinic P1 space group. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ni(1) and two equivalent Se(1) atoms. There is one shorter (1.40 Å) and one longer (1.79 Å) Rh(1)-Ni(1) bond length. There is one shorter (2.67 Å) and one longer (2.89 Å) Rh(1)-Se(1) bond length. In the second Rh site, Rh(2) is bonded in a 9-coordinate geometry to six equivalent Rh(2), one Ni(1), and two equivalent Se(1) atoms. There are four shorter (2.76 Å) and two longer (2.84 Å) Rh(2)-Rh(2) bond lengths. The Rh(2)-Ni(1) bond length is 3.33 Å. There is one shorter (2.67 Å) and one longer (2.89 Å) Rh(2)-Se(1) bond length. Ni(1) is bonded in a distorted bent 120 degrees geometry to one Rh(2) and two equivalent Rh(1) atoms. Se(1) is bonded in a 10-coordinate geometry to two equivalent Rh(1), two equivalent Rh(2), and six equivalent Se(1) atoms. There are four shorter (2.76 Å) and two longer (2.84 Å) Se(1)-Se(1) bond lengths.