data_RePSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   153.21
_cell_angle_beta   153.21
_cell_angle_gamma   38.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePSe
_chemical_formula_sum   'Re1 P1 Se1'
_cell_volume   53.63
_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
  Re  Re1  1  0.0  0.0  0.1  1.0
  P  P0  1  0.0  0.0  0.6  1.0
  Se  Se2  1  0.0  0.0  0.55  1.0

data_RePSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   109.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   RePSe
_chemical_formula_sum   'Re2 P2 Se2'
_cell_volume   107.25
_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
  Re  Re0  2  0.1  0.0  0.1  1.0
  P  P1  2  0.1  0.5  0.6  1.0
  Se  Se2  2  0.05  0.5  0.55  1.0

Re P Se
RePSe crystallizes in the monoclinic Cm space group. Re(1) is bonded in a distorted single-bond geometry to four equivalent Re(1), one P(1), and one Se(1) atom. All Re(1)-Re(1) bond lengths are 2.97 Å. The Re(1)-P(1) bond length is 3.23 Å. The Re(1)-Se(1) bond length is 2.90 Å. P(1) is bonded in a single-bond geometry to one Re(1) and one Se(1) atom. The P(1)-Se(1) bond length is 0.29 Å. Se(1) is bonded in a single-bond geometry to one Re(1) and one P(1) atom.