data_Ti2VTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   134.57
_cell_angle_beta   134.57
_cell_angle_gamma   66.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2VTe
_chemical_formula_sum   'Ti2 V1 Te1'
_cell_volume   67.37
_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
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Ti  Ti2  1  0.98  0.0  0.15  1.0
  V  V3  1  0.0  0.0  0.3  1.0
  Te  Te0  1  0.0  0.98  0.15  1.0

data_Ti2VTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   5.13
_cell_angle_alpha   112.71
_cell_angle_beta   112.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2VTe
_chemical_formula_sum   'Ti2 V1 Te1'
_cell_volume   67.37
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.85  0.0  0.83  1.0
  V  V2  1  0.7  0.0  0.7  1.0
  Te  Te3  1  0.83  0.98  0.83  1.0

Ti Ti V Te
Ti Ti V Te 0 1 - o o 0 3 o - o 1 3 + - o 1 2 + o o 2 3 o - o 