data_Re3As2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.08
_cell_length_c   7.79
_cell_angle_alpha   50.5
_cell_angle_beta   50.15
_cell_angle_gamma   79.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re3As2
_chemical_formula_sum   'Re6 As4'
_cell_volume   158.91
_cell_formula_units_Z   2
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  Re4  1  0.73  0.36  0.92  1.0
  Re  Re5  1  0.25  0.68  0.92  1.0
  Re  Re6  1  0.5  0.6  0.23  1.0
  Re  Re7  1  0.47  0.44  0.23  1.0
  Re  Re8  1  0.74  0.76  0.08  1.0
  Re  Re9  1  0.49  0.52  0.77  1.0
  As  As0  1  0.11  0.95  0.97  1.0
  As  As1  1  0.38  0.58  0.97  1.0
  As  As2  1  0.13  0.18  0.28  1.0
  As  As3  1  0.85  0.86  0.28  1.0

data_Re3As2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.24
_cell_length_b   6.08
_cell_length_c   6.11
_cell_angle_alpha   79.35
_cell_angle_beta   64.61
_cell_angle_gamma   64.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re3As2
_chemical_formula_sum   'Re6 As4'
_cell_volume   158.91
_cell_formula_units_Z   2
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  Re0  1  0.01  0.72  0.36  1.0
  Re  Re1  1  0.14  0.33  0.3  1.0
  Re  Re2  1  0.33  0.17  0.27  1.0
  Re  Re3  1  0.59  0.15  0.17  1.0
  Re  Re4  1  0.78  0.7  0.74  1.0
  Re  Re5  1  0.85  0.4  0.83  1.0
  As  As6  1  0.03  0.08  0.92  1.0
  As  As7  1  0.59  0.53  0.59  1.0
  As  As8  1  0.93  0.45  0.64  1.0
  As  As9  1  1.0  0.85  0.86  1.0

Re Re Re Re Re Re As As As As
Re3As2 crystallizes in the triclinic P1 space group. There are six inequivalent Re sites. In the first Re site, Re(1) is bonded in a 7-coordinate geometry to one Re(4), one Re(5), one Re(6), one As(1), one As(2), one As(3), and one As(4) atom. The Re(1)-Re(4) bond length is 2.21 Å. The Re(1)-Re(5) bond length is 3.02 Å. The Re(1)-Re(6) bond length is 2.12 Å. The Re(1)-As(1) bond length is 3.12 Å. The Re(1)-As(2) bond length is 2.21 Å. The Re(1)-As(3) bond length is 2.63 Å. The Re(1)-As(4) bond length is 2.98 Å. In the second Re site, Re(2) is bonded in a distorted single-bond geometry to one As(1), one As(2), and one As(3) atom. The Re(2)-As(1) bond length is 1.85 Å. The Re(2)-As(2) bond length is 1.08 Å. The Re(2)-As(3) bond length is 2.24 Å. In the third Re site, Re(3) is bonded in a bent 120 degrees geometry to one Re(4) and one Re(5) atom. The Re(3)-Re(4) bond length is 1.02 Å. The Re(3)-Re(5) bond length is 1.18 Å. In the fourth Re site, Re(4) is bonded in a distorted bent 120 degrees geometry to one Re(1), one Re(3), one As(2), and one As(3) atom. The Re(4)-As(2) bond length is 2.01 Å. The Re(4)-As(3) bond length is 2.51 Å. In the fifth Re site, Re(5) is bonded in a 2-coordinate geometry to one Re(1), one Re(3), and one As(1) atom. The Re(5)-As(1) bond length is 2.04 Å. In the sixth Re site, Re(6) is bonded in a 2-coordinate geometry to one Re(1), one As(2), one As(3), and one As(4) atom. The Re(6)-As(2) bond length is 1.50 Å. The Re(6)-As(3) bond length is 2.22 Å. The Re(6)-As(4) bond length is 2.13 Å. There are four inequivalent As sites. In the first As site, As(1) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), one Re(5), and one As(4) atom. The As(1)-As(4) bond length is 1.56 Å. In the second As site, As(2) is bonded in a 2-coordinate geometry to one Re(1), one Re(2), one Re(4), one Re(6), and one As(3) atom. The As(2)-As(3) bond length is 1.79 Å. In the third As site, As(3) is bonded in a 6-coordinate geometry to one Re(1), one Re(2), one Re(4), one Re(6), one As(2), and one As(4) atom. The As(3)-As(4) bond length is 2.80 Å. In the fourth As site, As(4) is bonded in a 2-coordinate geometry to one Re(1), one Re(6), one As(1), and one As(3) atom.