data_SiTe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTe2Ru
_chemical_formula_sum   'Si1 Te2 Ru1'
_cell_volume   81.35
_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
  Si  Si1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.66  0.66  0.05  1.0
  Te  Te3  1  0.66  0.66  0.35  1.0
  Ru  Ru0  1  0.0  0.0  0.7  1.0

data_SiTe2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiTe2Ru
_chemical_formula_sum   'Si2 Te4 Ru2'
_cell_volume   162.71
_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
  Si  Si0  2  0.0  0.0  0.0  1.0
  Te  Te1  2  0.16  0.5  0.05  1.0
  Te  Te2  2  0.16  0.5  0.35  1.0
  Ru  Ru3  2  0.0  0.0  0.7  1.0

Si Te Te Ru
Si Te Te Ru 0 1 - - o 0 3 o o - 1 2 o o o 
RuSiTe2 crystallizes in the monoclinic Cm space group. Ru(1) is bonded in a distorted single-bond geometry to one Si(1) and one Te(2) atom. The Ru(1)-Si(1) bond length is 2.22 Å. The Ru(1)-Te(2) bond length is 3.03 Å. Si(1) is bonded in a 4-coordinate geometry to one Ru(1) and three equivalent Te(1) atoms. There is one shorter (1.64 Å) and two longer (2.48 Å) Si(1)-Te(1) bond lengths. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted single-bond geometry to three equivalent Si(1) and one Te(2) atom. The Te(1)-Te(2) bond length is 2.26 Å. In the second Te site, Te(2) is bonded in a distorted bent 150 degrees geometry to one Ru(1) and one Te(1) atom.