data_Te4Mo2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12
_cell_length_b   7.16
_cell_length_c   7.17
_cell_angle_alpha   92.62
_cell_angle_beta   92.9
_cell_angle_gamma   93.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te4Mo2Ru
_chemical_formula_sum   'Te8 Mo4 Ru2'
_cell_volume   363.87
_cell_formula_units_Z   2
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
  Te  Te0  1  0.88  0.67  0.47  1.0
  Te  Te1  1  0.36  0.09  0.28  1.0
  Te  Te2  1  0.89  0.22  0.98  1.0
  Te  Te3  1  0.39  0.14  0.69  1.0
  Te  Te4  1  0.06  0.67  0.81  1.0
  Te  Te5  1  0.35  0.57  0.28  1.0
  Te  Te6  1  0.89  0.31  0.63  1.0
  Te  Te7  1  0.29  0.44  0.5  1.0
  Mo  Mo8  1  0.93  0.02  0.23  1.0
  Mo  Mo9  1  0.61  0.83  0.77  1.0
  Mo  Mo10  1  0.6  0.65  0.94  1.0
  Mo  Mo11  1  0.36  0.77  0.89  1.0
  Ru  Ru12  1  0.67  0.94  0.4  1.0
  Ru  Ru13  1  0.65  0.21  0.21  1.0

data_Te4Mo2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.12
_cell_length_b   7.16
_cell_length_c   7.17
_cell_angle_alpha   92.62
_cell_angle_beta   92.9
_cell_angle_gamma   93.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te4Mo2Ru
_chemical_formula_sum   'Te8 Mo4 Ru2'
_cell_volume   363.87
_cell_formula_units_Z   2
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
  Te  Te0  1  0.06  0.67  0.81  1.0
  Te  Te1  1  0.29  0.44  0.5  1.0
  Te  Te2  1  0.35  0.57  0.28  1.0
  Te  Te3  1  0.36  0.09  0.28  1.0
  Te  Te4  1  0.39  0.14  0.69  1.0
  Te  Te5  1  0.88  0.67  0.47  1.0
  Te  Te6  1  0.89  0.31  0.63  1.0
  Te  Te7  1  0.89  0.22  0.98  1.0
  Mo  Mo8  1  0.36  0.77  0.89  1.0
  Mo  Mo9  1  0.6  0.65  0.94  1.0
  Mo  Mo10  1  0.61  0.83  0.77  1.0
  Mo  Mo11  1  0.93  0.02  0.23  1.0
  Ru  Ru12  1  0.65  0.21  0.21  1.0
  Ru  Ru13  1  0.67  0.94  0.4  1.0

Te Te Te Te Te Te Te Te Mo Mo Mo Mo Ru Ru
Te Te Te Te Te Te Te Te Mo Mo Mo Mo Ru Ru 0 12 o o o 0 9 o o o 0 6 o o o 0 8 o + o 0 4 + o o 1 12 o - o 1 13 o o o 1 3 o o o 2 13 o o + 2 6 o o o 2 8 o o + 3 11 o - o 3 7 o o o 3 12 o - o 3 9 o - o 4 11 o o o 4 6 - o o 5 7 o o o 6 13 o o o 6 12 o - o 6 7 + o o 8 12 o - o 8 13 o o o 9 11 o o o 9 10 o o o 9 12 o o o 10 11 o o o 12 13 o + o 
Mo2RuTe4 crystallizes in the triclinic P1 space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one Ru(1), one Ru(2), one Te(1), one Te(2), one Te(3), and one Te(7) atom. The Mo(1)-Ru(1) bond length is 2.33 Å. The Mo(1)-Ru(2) bond length is 2.52 Å. The Mo(1)-Te(1) bond length is 3.12 Å. The Mo(1)-Te(2) bond length is 3.06 Å. The Mo(1)-Te(3) bond length is 2.35 Å. The Mo(1)-Te(7) bond length is 3.49 Å. In the second Mo site, Mo(2) is bonded in a 7-coordinate geometry to one Mo(3), one Mo(4), one Ru(1), one Te(1), one Te(3), one Te(4), and one Te(5) atom. The Mo(2)-Mo(3) bond length is 1.87 Å. The Mo(2)-Mo(4) bond length is 2.04 Å. The Mo(2)-Ru(1) bond length is 2.81 Å. The Mo(2)-Te(1) bond length is 3.22 Å. The Mo(2)-Te(3) bond length is 3.55 Å. The Mo(2)-Te(4) bond length is 2.86 Å. The Mo(2)-Te(5) bond length is 3.45 Å. In the third Mo site, Mo(3) is bonded in a 2-coordinate geometry to one Mo(2) and one Mo(4) atom. The Mo(3)-Mo(4) bond length is 2.02 Å. In the fourth Mo site, Mo(4) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(3), one Te(2), one Te(4), and one Te(5) atom. The Mo(4)-Te(2) bond length is 3.53 Å. The Mo(4)-Te(4) bond length is 3.08 Å. The Mo(4)-Te(5) bond length is 2.26 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 8-coordinate geometry to one Mo(1), one Mo(2), one Ru(2), one Te(1), one Te(2), one Te(4), one Te(6), and one Te(7) atom. The Ru(1)-Ru(2) bond length is 2.43 Å. The Ru(1)-Te(1) bond length is 2.63 Å. The Ru(1)-Te(2) bond length is 2.64 Å. The Ru(1)-Te(4) bond length is 3.27 Å. The Ru(1)-Te(6) bond length is 3.44 Å. The Ru(1)-Te(7) bond length is 3.27 Å. In the second Ru site, Ru(2) is bonded in a 4-coordinate geometry to one Mo(1), one Ru(1), one Te(2), one Te(3), and one Te(7) atom. The Ru(2)-Te(2) bond length is 2.26 Å. The Ru(2)-Te(3) bond length is 2.47 Å. The Ru(2)-Te(7) bond length is 3.40 Å. There are eight inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one Mo(1), one Mo(2), one Ru(1), one Te(5), and one Te(7) atom. The Te(1)-Te(5) bond length is 2.69 Å. The Te(1)-Te(7) bond length is 2.89 Å. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to one Mo(1), one Mo(4), one Ru(1), one Ru(2), one Te(4), and one Te(8) atom. The Te(2)-Te(4) bond length is 2.96 Å. The Te(2)-Te(8) bond length is 2.99 Å. In the third Te site, Te(3) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), one Ru(2), and one Te(7) atom. The Te(3)-Te(7) bond length is 2.62 Å. In the fourth Te site, Te(4) is bonded in a 5-coordinate geometry to one Mo(2), one Mo(4), one Ru(1), one Te(2), and one Te(8) atom. The Te(4)-Te(8) bond length is 2.66 Å. In the fifth Te site, Te(5) is bonded in a distorted single-bond geometry to one Mo(2), one Mo(4), one Te(1), and one Te(7) atom. The Te(5)-Te(7) bond length is 3.02 Å. In the sixth Te site, Te(6) is bonded in a distorted single-bond geometry to one Ru(1) and one Te(8) atom. The Te(6)-Te(8) bond length is 1.98 Å. In the seventh Te site, Te(7) is bonded in a distorted pentagonal bipyramidal geometry to one Mo(1), one Ru(1), one Ru(2), one Te(1), one Te(3), one Te(5), and one Te(8) atom. The Te(7)-Te(8) bond length is 3.14 Å. In the eighth Te site, Te(8) is bonded in a 1-coordinate geometry to one Te(2), one Te(4), one Te(6), and one Te(7) atom.