data_VTe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   4.95
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VTe2Se
_chemical_formula_sum   'V1 Te2 Se1'
_cell_volume   87.14
_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
  V  V3  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.7  0.47  0.0  1.0
  Te  Te2  1  0.0  0.47  0.59  1.0
  Se  Se0  1  0.7  0.0  0.59  1.0

data_VTe2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.95
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VTe2Se
_chemical_formula_sum   'V1 Te2 Se1'
_cell_volume   87.14
_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
  V  V0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  -0.0  0.47  0.59  1.0
  Te  Te2  1  0.7  0.47  0.0  1.0
  Se  Se3  1  0.7  0.0  0.59  1.0

V Te Te Se
V Te Te Se 0 1 - - o 0 1 - o o 0 3 - o - 1 2 + o - 2 3 - o o 2 3 - + o 
VTe2Se crystallizes in the triclinic P1 space group. V(1) is bonded in a 1-coordinate geometry to two equivalent Te(1) and three equivalent Se(1) atoms. There is one shorter (2.56 Å) and one longer (2.79 Å) V(1)-Te(1) bond length. There are a spread of V(1)-Se(1) bond distances ranging from 2.37-3.21 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to two equivalent V(1) and one Te(2) atom. The Te(1)-Te(2) bond length is 2.37 Å. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one Te(1) and two equivalent Se(1) atoms. There is one shorter (2.56 Å) and one longer (2.79 Å) Te(2)-Se(1) bond length. Se(1) is bonded in a 5-coordinate geometry to three equivalent V(1) and two equivalent Te(2) atoms.