data_TiVTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.38
_cell_length_c   3.11
_cell_angle_alpha   81.05
_cell_angle_beta   71.44
_cell_angle_gamma   27.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVTe
_chemical_formula_sum   'Ti1 V1 Te1'
_cell_volume   55.24
_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  0.76  0.56  0.26  1.0
  V  V2  1  0.76  0.56  0.05  1.0
  Te  Te0  1  0.76  0.56  0.22  1.0

data_TiVTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.51
_cell_length_b   12.27
_cell_length_c   3.11
_cell_angle_alpha   90.0
_cell_angle_beta   124.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiVTe
_chemical_formula_sum   'Ti2 V2 Te2'
_cell_volume   110.49
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.26  0.0  0.02  1.0
  V  V1  2  0.05  0.0  0.8  1.0
  Te  Te2  2  0.22  0.0  0.98  1.0

Ti V Te
Ti V Te 0 2 o o o 1 2 o o o 