data_Cr2TeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2TeRu
_chemical_formula_sum   'Cr2 Te1 Ru1'
_cell_volume   58.98
_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
  Cr  Cr0  1  0.0  0.0  0.32  1.0
  Cr  Cr1  1  0.09  0.0  0.93  1.0
  Te  Te3  1  0.09  0.0  0.51  1.0
  Ru  Ru2  1  0.0  0.0  0.49  1.0

data_Cr2TeRu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cr2TeRu
_chemical_formula_sum   'Cr2 Te1 Ru1'
_cell_volume   59.04
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Cr  Cr0  1  0.0  0.0  0.32  1.0
  Cr  Cr1  1  0.09  0.0  0.93  1.0
  Te  Te2  1  0.09  0.0  0.51  1.0
  Ru  Ru3  1  0.0  0.0  0.49  1.0

Cr Cr Te Ru
Cr2RuTe crystallizes in the monoclinic Pm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a single-bond geometry to one Cr(2) and one Ru(1) atom. The Cr(1)-Cr(2) bond length is 2.53 Å. The Cr(1)-Ru(1) bond length is 1.10 Å. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one Cr(1), four equivalent Cr(2), and one Te(1) atom. All Cr(2)-Cr(2) bond lengths are 3.01 Å. The Cr(2)-Te(1) bond length is 2.72 Å. Ru(1) is bonded in a bent 120 degrees geometry to one Cr(1) and one Te(1) atom. The Ru(1)-Te(1) bond length is 0.30 Å. Te(1) is bonded in a single-bond geometry to one Cr(2) and one Ru(1) atom.