data_TeRu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeRu2Pt
_chemical_formula_sum   'Te1 Ru2 Pt1'
_cell_volume   66.5
_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
  Te  Te3  1  0.22  0.22  0.22  1.0
  Ru  Ru1  1  0.61  0.61  0.61  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.82  0.82  0.82  1.0

data_TeRu2Pt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   11.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TeRu2Pt
_chemical_formula_sum   'Te3 Ru6 Pt3'
_cell_volume   199.5
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.78  1.0
  Ru  Ru1  3  0.0  0.0  0.0  1.0
  Ru  Ru2  3  0.0  0.0  0.39  1.0
  Pt  Pt3  3  0.0  0.0  0.18  1.0

Te Ru Ru Pt
Te Ru Ru Pt 0 2 o o o 0 2 o o + 0 2 + o o 0 2 o + o 0 3 - - o 0 3 - o - 0 3 o - - 0 1 - o o 0 1 o - o 0 1 o o - 1 3 o - o 1 3 - o o 1 3 o o - 1 3 o o o 1 2 o + + 1 2 + o + 1 2 + + o 2 3 - - - 
Ru2PtTe crystallizes in the trigonal R3m space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 10-coordinate geometry to three equivalent Ru(2), four equivalent Pt(1), and three equivalent Te(1) atoms. All Ru(1)-Ru(2) bond lengths are 2.71 Å. There is one shorter (2.40 Å) and three longer (2.93 Å) Ru(1)-Pt(1) bond lengths. All Ru(1)-Te(1) bond lengths are 2.71 Å. In the second Ru site, Ru(2) is bonded in a distorted linear geometry to three equivalent Ru(1), one Pt(1), and four equivalent Te(1) atoms. The Ru(2)-Pt(1) bond length is 1.97 Å. There is one shorter (2.40 Å) and three longer (2.93 Å) Ru(2)-Te(1) bond lengths. Pt(1) is bonded in a 5-coordinate geometry to one Ru(2), four equivalent Ru(1), and three equivalent Te(1) atoms. All Pt(1)-Te(1) bond lengths are 2.71 Å. Te(1) is bonded in a 10-coordinate geometry to three equivalent Ru(1), four equivalent Ru(2), and three equivalent Pt(1) atoms.