data_Ti2TcSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   8.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2TcSb
_chemical_formula_sum   'Ti2 Tc1 Sb1'
_cell_volume   70.65
_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  0.71  0.0  0.88  1.0
  Ti  Ti3  1  0.71  0.0  0.45  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.0  0.0  0.17  1.0

data_Ti2TcSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   8.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2TcSb
_chemical_formula_sum   'Ti2 Tc1 Sb1'
_cell_volume   70.65
_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  0.71  0.0  0.45  1.0
  Ti  Ti1  1  0.71  0.0  0.88  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.17  1.0

Ti Ti Tc Sb
Ti Ti Tc Sb 0 2 + o + 1 1 + + o 1 1 o + o 1 1 + o o 1 3 o o o 1 3 + o o 2 3 o o o 