data_TiVTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   144.32
_cell_angle_beta   126.09
_cell_angle_gamma   66.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVTc2
_chemical_formula_sum   'Ti1 V1 Tc2'
_cell_volume   58.02
_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  0.0  0.0  0.18  1.0
  Tc  Tc0  1  0.53  0.0  0.13  1.0
  Tc  Tc1  1  0.0  0.27  0.05  1.0

data_TiVTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.53
_cell_length_c   5.0
_cell_angle_alpha   116.96
_cell_angle_beta   107.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVTc2
_chemical_formula_sum   'Ti1 V1 Tc2'
_cell_volume   58.02
_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  0.18  0.18  1.0
  Tc  Tc2  1  0.0  0.13  0.6  1.0
  Tc  Tc3  1  0.73  0.78  0.78  1.0

Ti V Tc Tc