data_Ca2VRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.33
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2VRe
_chemical_formula_sum   'Ca2 V1 Re1'
_cell_volume   96.93
_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  Ca0  1  0.67  0.67  0.19  1.0
  Ca  Ca1  1  0.0  0.0  0.77  1.0
  V  V3  1  0.0  0.0  0.89  1.0
  Re  Re2  1  0.67  0.67  0.99  1.0

data_Ca2VRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2VRe
_chemical_formula_sum   'Ca4 V2 Re2'
_cell_volume   193.87
_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  0.77  1.0
  Ca  Ca1  2  0.17  0.5  0.19  1.0
  V  V2  2  0.0  0.0  0.89  1.0
  Re  Re3  2  0.17  0.5  0.99  1.0

Ca Ca V Re
Ca2VRe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ca2VRe clusters. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a single-bond geometry to one Re(1) atom. The Ca(1)-Re(1) bond length is 1.70 Å. In the second Ca site, Ca(2) is bonded in a single-bond geometry to one V(1) atom. The Ca(2)-V(1) bond length is 1.04 Å. V(1) is bonded in a distorted single-bond geometry to one Ca(2) and one Re(1) atom. The V(1)-Re(1) bond length is 1.81 Å. Re(1) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one V(1) atom.