data_BaCaRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   8.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCaRe
_chemical_formula_sum   'Ba1 Ca1 Re1'
_cell_volume   92.5
_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
  Ba  Ba0  1  1.0  0.07  0.75  1.0
  Ca  Ca1  1  0.0  0.0  0.37  1.0
  Re  Re2  1  0.79  0.04  0.46  1.0

data_BaCaRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   8.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCaRe
_chemical_formula_sum   'Ba1 Ca1 Re1'
_cell_volume   92.5
_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
  Ba  Ba0  1  1.0  0.07  0.75  1.0
  Ca  Ca1  1  0.0  0.0  0.37  1.0
  Re  Re2  1  0.79  0.04  0.46  1.0

Ba Ca Re
Ba Ca Re 0 2 o o o 1 2 - o o 
BaCaRe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaCaRe cluster. Ba(1) is bonded in a single-bond geometry to one Re(1) atom. The Ba(1)-Re(1) bond length is 2.49 Å. Ca(1) is bonded in a single-bond geometry to one Re(1) atom. The Ca(1)-Re(1) bond length is 1.08 Å. Re(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Ca(1) atom.