data_Ca2MnRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_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   Ca2MnRe
_chemical_formula_sum   'Ca2 Mn1 Re1'
_cell_volume   92.89
_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  0.14  1.0
  Ca  Ca1  1  0.63  0.63  0.79  1.0
  Mn  Mn2  1  0.0  0.0  0.1  1.0
  Re  Re3  1  0.63  0.63  0.81  1.0

data_Ca2MnRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.61
_cell_length_b   4.61
_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   Ca2MnRe
_chemical_formula_sum   'Ca4 Mn2 Re2'
_cell_volume   185.78
_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  0.14  1.0
  Ca  Ca1  2  0.13  0.5  0.79  1.0
  Mn  Mn2  2  0.0  0.0  0.1  1.0
  Re  Re3  2  0.13  0.5  0.81  1.0

Ca Ca Mn Re
Ca Ca Mn Re 0 2 o o o 1 3 o o o 
CaReCaMn is alpha carbon monoxide-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaMn clusters and two CaRe clusters. In each CaMn cluster, Ca(1) is bonded in a single-bond geometry to one Mn(1) atom. The Ca(1)-Mn(1) bond length is 0.34 Å. Mn(1) is bonded in a single-bond geometry to one Ca(1) atom. In each CaRe cluster, Ca(2) is bonded in a single-bond geometry to one Re(1) atom. The Ca(2)-Re(1) bond length is 0.18 Å. Re(1) is bonded in a single-bond geometry to one Ca(2) atom.