data_YVTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YVTe4
_chemical_formula_sum   'Y1 V1 Te4'
_cell_volume   166.23
_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  Y5  1  0.18  0.18  0.18  1.0
  V  V4  1  0.0  0.0  0.0  1.0
  Te  Te0  1  0.27  0.27  0.46  1.0
  Te  Te1  1  0.27  0.46  0.27  1.0
  Te  Te2  1  0.46  0.27  0.27  1.0
  Te  Te3  1  0.46  0.46  0.46  1.0

data_YVTe4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   15.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YVTe4
_chemical_formula_sum   'Y3 V3 Te12'
_cell_volume   498.7
_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  0.82  1.0
  V  V1  3  0.0  0.0  0.0  1.0
  Te  Te2  9  0.06  0.12  0.67  1.0
  Te  Te3  3  0.0  0.0  0.54  1.0

Y V Te Te Te Te
YVTe4 crystallizes in the trigonal R3m space group. Y(1) is bonded in a 7-coordinate geometry to one V(1), three equivalent Te(1), and three equivalent Te(2) atoms. The Y(1)-V(1) bond length is 2.75 Å. All Y(1)-Te(1) bond lengths are 2.38 Å. All Y(1)-Te(2) bond lengths are 3.68 Å. V(1) is bonded in a trigonal pyramidal geometry to one Y(1) and three equivalent Te(1) atoms. All V(1)-Te(1) bond lengths are 2.91 Å. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded in a 6-coordinate geometry to three equivalent Y(1) and three equivalent Te(1) atoms. All Te(2)-Te(1) bond lengths are 1.95 Å. In the second Te site, Te(1) is bonded in a 4-coordinate geometry to one Y(1), one V(1), one Te(2), and two equivalent Te(1) atoms. Both Te(1)-Te(1) bond lengths are 1.13 Å.