data_CaRe2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   4.53
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaRe2Ge
_chemical_formula_sum   'Ca1 Re2 Ge1'
_cell_volume   71.33
_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  0.0  0.0  0.0  1.0
  Re  Re2  1  0.65  0.0  0.39  1.0
  Re  Re3  1  0.0  0.27  0.39  1.0
  Ge  Ge1  1  0.65  0.27  0.0  1.0

data_CaRe2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.53
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaRe2Ge
_chemical_formula_sum   'Ca1 Re2 Ge1'
_cell_volume   71.33
_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  0.0  0.0  0.0  1.0
  Re  Re1  1  -0.0  0.27  0.39  1.0
  Re  Re2  1  0.65  0.0  0.39  1.0
  Ge  Ge3  1  0.65  0.27  0.0  1.0

Ca Re Re Ge
Ca Re Re Ge 0 3 - o o 1 2 + o o 
CaRe2Ge crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaRe2Ge cluster. Ca(1) is bonded in a distorted single-bond geometry to one Re(1), one Re(2), and one Ge(1) atom. The Ca(1)-Re(1) bond length is 2.19 Å. The Ca(1)-Re(2) bond length is 2.21 Å. The Ca(1)-Ge(1) bond length is 1.67 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 2-coordinate geometry to one Ca(1) and one Re(2) atom. The Re(1)-Re(2) bond length is 1.67 Å. In the second Re site, Re(2) is bonded in a 2-coordinate geometry to one Ca(1) and one Re(1) atom. Ge(1) is bonded in a distorted single-bond geometry to one Ca(1) atom.