data_YTeMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTeMo3
_chemical_formula_sum   'Y1 Te1 Mo3'
_cell_volume   119.9
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Te  Te4  1  0.47  0.47  0.47  1.0
  Mo  Mo1  1  0.47  0.0  0.47  1.0
  Mo  Mo2  1  0.47  0.47  0.0  1.0
  Mo  Mo3  1  0.0  0.47  0.47  1.0

data_YTeMo3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.97
_cell_length_b   6.97
_cell_length_c   8.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YTeMo3
_chemical_formula_sum   'Y3 Te3 Mo9'
_cell_volume   359.69
_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
  Y  Y0  3  0.0  0.0  0.0  1.0
  Te  Te1  3  0.0  0.0  0.47  1.0
  Mo  Mo2  9  0.02  0.51  0.98  1.0

Y Te Mo Mo Mo
Y Te Mo Mo Mo 0 3 - - o 0 3 - o o 0 3 o - o 0 3 o o o 0 2 - o - 0 2 - o o 0 2 o o - 0 2 o o o 0 4 o - - 0 4 o - o 0 4 o o - 0 4 o o o 0 1 o o o 1 4 o o o 1 4 + o o 1 2 o o o 1 2 o + o 1 3 o o o 1 3 o o + 
YMo3Te is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Y(1) is bonded to twelve equivalent Mo(1) atoms to form YMo12 cuboctahedra that share corners with twelve equivalent Y(1)Mo12 cuboctahedra, faces with six equivalent Y(1)Mo12 cuboctahedra, and faces with eight equivalent Te(1)Mo6 octahedra. There are a spread of Y(1)-Mo(1) bond distances ranging from 3.25-3.73 Å. Mo(1) is bonded in a 6-coordinate geometry to four equivalent Y(1) and two equivalent Te(1) atoms. There is one shorter (2.30 Å) and one longer (2.64 Å) Mo(1)-Te(1) bond length. Te(1) is bonded to six equivalent Mo(1) atoms to form TeMo6 octahedra that share corners with six equivalent Te(1)Mo6 octahedra and faces with eight equivalent Y(1)Mo12 cuboctahedra. The corner-sharing octahedra are not tilted.