data_CaRe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   7.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaRe2As
_chemical_formula_sum   'Ca1 Re2 As1'
_cell_volume   73.48
_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
  Ca  Ca1  1  0.0  0.0  0.02  1.0
  Re  Re2  1  0.52  0.52  0.38  1.0
  Re  Re3  1  0.0  0.0  0.93  1.0
  As  As0  1  0.52  0.52  0.56  1.0

data_CaRe2As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   7.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaRe2As
_chemical_formula_sum   'Ca2 Re4 As2'
_cell_volume   146.97
_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
  Ca  Ca0  2  0.0  0.0  0.02  1.0
  Re  Re1  2  0.0  0.0  0.93  1.0
  Re  Re2  2  0.02  0.5  0.38  1.0
  As  As3  2  0.02  0.5  0.56  1.0

Ca Re Re As
CaReReAs is beta oxygen-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaRe clusters and two ReAs clusters. In each CaRe cluster, Ca(1) is bonded in a single-bond geometry to one Re(2) atom. The Ca(1)-Re(2) bond length is 0.75 Å. Re(2) is bonded in a single-bond geometry to one Ca(1) atom. In each ReAs cluster, Re(1) is bonded in a single-bond geometry to one As(1) atom. The Re(1)-As(1) bond length is 1.45 Å. As(1) is bonded in a single-bond geometry to one Re(1) atom.