data_TiVTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   5.09
_cell_angle_alpha   101.7
_cell_angle_beta   101.7
_cell_angle_gamma   39.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVTc2
_chemical_formula_sum   'Ti1 V1 Tc2'
_cell_volume   59.36
_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  Ti2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.52  0.0  0.48  1.0
  Tc  Tc0  1  0.17  0.0  0.68  1.0
  Tc  Tc1  1  0.87  0.0  0.29  1.0

data_TiVTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.32
_cell_length_c   5.09
_cell_angle_alpha   101.7
_cell_angle_beta   90.0
_cell_angle_gamma   109.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVTc2
_chemical_formula_sum   'Ti1 V1 Tc2'
_cell_volume   59.36
_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
  V  V1  1  0.0  0.48  0.52  1.0
  Tc  Tc2  1  0.0  0.13  0.71  1.0
  Tc  Tc3  1  0.0  0.83  0.32  1.0

Ti V Tc Tc
Ti V Tc Tc 0 3 - o o 0 2 o o - 1 2 o o o 1 3 o o o 2 3 - o o 