data_InReSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InReSe2
_chemical_formula_sum   'In1 Re1 Se2'
_cell_volume   74.26
_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
  In  In0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.29  0.0  0.0  1.0
  Se  Se2  1  0.64  0.24  0.6  1.0
  Se  Se3  1  0.64  0.76  0.6  1.0

data_InReSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   93.96
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InReSe2
_chemical_formula_sum   'In1 Re1 Se2'
_cell_volume   74.26
_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
  In  In0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.29  0.0  1.0
  Se  Se2  1  0.6  0.64  0.24  1.0
  Se  Se3  1  0.6  0.64  0.76  1.0

In Re Se Se
In Re Se Se 0 1 o o o 0 2 - o - 0 3 - - o 0 3 - - - 1 2 o o o 1 2 o o - 1 3 o - - 2 3 o o o 2 3 o - o 
ReInSe2 crystallizes in the triclinic P1 space group. Re(1) is bonded in a 5-coordinate geometry to one In(1), two equivalent Se(1), and two equivalent Se(2) atoms. The Re(1)-In(1) bond length is 1.38 Å. There is one shorter (2.37 Å) and one longer (2.78 Å) Re(1)-Se(1) bond length. There is one shorter (2.48 Å) and one longer (2.88 Å) Re(1)-Se(2) bond length. In(1) is bonded in a 5-coordinate geometry to one Re(1), two equivalent Se(1), and two equivalent Se(2) atoms. There is one shorter (2.48 Å) and one longer (2.88 Å) In(1)-Se(1) bond length. There is one shorter (2.37 Å) and one longer (2.78 Å) In(1)-Se(2) bond length. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to two equivalent Re(1), two equivalent In(1), and two equivalent Se(2) atoms. There is one shorter (2.30 Å) and one longer (2.52 Å) Se(1)-Se(2) bond length. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to two equivalent Re(1), two equivalent In(1), and two equivalent Se(1) atoms.