data_CoReAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoReAs2
_chemical_formula_sum   'Co1 Re1 As2'
_cell_volume   58.18
_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
  Co  Co2  1  0.0  0.0  0.38  1.0
  Re  Re3  1  0.62  0.62  0.3  1.0
  As  As0  1  0.0  0.0  0.41  1.0
  As  As1  1  0.62  0.62  0.78  1.0

data_CoReAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoReAs2
_chemical_formula_sum   'Co2 Re2 As4'
_cell_volume   116.37
_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
  Co  Co0  2  0.0  0.0  0.38  1.0
  Re  Re1  2  0.12  0.5  0.3  1.0
  As  As2  2  0.0  0.0  0.41  1.0
  As  As3  2  0.12  0.5  0.78  1.0

Co Re As As
ReCoAs2 crystallizes in the monoclinic Cm space group. Re(1) is bonded in a 6-coordinate geometry to three equivalent Co(1), one As(1), and two equivalent As(2) atoms. There is one shorter (1.81 Å) and two longer (2.40 Å) Re(1)-Co(1) bond lengths. The Re(1)-As(1) bond length is 1.86 Å. There is one shorter (2.67 Å) and one longer (2.88 Å) Re(1)-As(2) bond length. Co(1) is bonded in a single-bond geometry to three equivalent Re(1) and one As(1) atom. The Co(1)-As(1) bond length is 0.16 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a single-bond geometry to one Re(1), one Co(1), and one As(2) atom. The As(1)-As(2) bond length is 2.69 Å. In the second As site, As(2) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one As(1) atom.