data_CaTeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.45
_cell_length_b   8.45
_cell_length_c   8.45
_cell_angle_alpha   23.24
_cell_angle_beta   23.24
_cell_angle_gamma   23.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTeRu2
_chemical_formula_sum   'Ca1 Te1 Ru2'
_cell_volume   82.41
_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
  Te  Te3  1  0.0  0.0  0.32  1.0
  Ru  Ru1  1  0.0  0.0  0.85  1.0
  Ru  Ru2  1  0.0  0.0  0.79  1.0

data_CaTeRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.89
_cell_length_b   3.4
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   103.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaTeRu2
_chemical_formula_sum   'Ca2 Te2 Ru4'
_cell_volume   164.81
_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  0.0  1.0
  Te  Te1  2  0.0  0.0  0.68  1.0
  Ru  Ru2  2  0.0  0.0  0.15  1.0
  Ru  Ru3  2  0.0  0.0  0.21  1.0

Ca Te Ru Ru
Ca Te Ru Ru 0 2 o o - 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 2 3 o o o 
CaRu2Te crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaRu2Te clusters. Ca(1) is bonded in a single-bond geometry to one Ru(1) and one Te(1) atom. The Ca(1)-Ru(1) bond length is 1.24 Å. The Ca(1)-Te(1) bond length is 2.73 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a distorted linear geometry to one Ca(1) and one Ru(2) atom. The Ru(1)-Ru(2) bond length is 0.51 Å. In the second Ru site, Ru(2) is bonded in a single-bond geometry to one Ru(1) atom. Te(1) is bonded in a single-bond geometry to one Ca(1) atom.