data_Ti2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   3.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Tc
_chemical_formula_sum   'Ti6 Tc3'
_cell_volume   150.0
_cell_formula_units_Z   3
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  Ti3  1  0.15  0.47  0.92  1.0
  Ti  Ti4  1  0.06  0.35  0.0  1.0
  Ti  Ti5  1  0.7  0.0  0.92  1.0
  Ti  Ti6  1  0.51  0.35  0.92  1.0
  Ti  Ti7  1  0.87  0.0  0.0  1.0
  Ti  Ti8  1  0.42  0.46  0.0  1.0
  Tc  Tc0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.88  0.92  1.0
  Tc  Tc2  1  0.36  0.94  0.92  1.0

data_Ti2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Tc
_chemical_formula_sum   'Ti6 Tc3'
_cell_volume   150.0
_cell_formula_units_Z   3
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  0.42  0.46  1.0
  Ti  Ti1  1  -0.0  0.06  0.35  1.0
  Ti  Ti2  1  -0.0  0.87  0.0  1.0
  Ti  Ti3  1  0.92  0.15  0.47  1.0
  Ti  Ti4  1  0.92  0.51  0.35  1.0
  Ti  Ti5  1  0.92  0.7  0.0  1.0
  Tc  Tc6  1  0.0  0.0  0.0  1.0
  Tc  Tc7  1  0.92  0.0  0.88  1.0
  Tc  Tc8  1  0.92  0.36  0.94  1.0

Ti Ti Ti Ti Ti Ti Tc Tc Tc