data_Ti2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   141.09
_cell_angle_beta   124.27
_cell_angle_gamma   70.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Tc
_chemical_formula_sum   'Ti2 Tc1'
_cell_volume   47.72
_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  0.0  0.0  0.98  1.0
  Ti  Ti2  1  0.0  0.0  0.46  1.0
  Tc  Tc0  1  0.0  0.0  0.0  1.0

data_Ti2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.24
_cell_length_c   4.54
_cell_angle_alpha   117.87
_cell_angle_beta   109.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Tc
_chemical_formula_sum   'Ti2 Tc1'
_cell_volume   47.72
_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  0.02  0.02  0.02  1.0
  Ti  Ti1  1  0.54  0.54  0.54  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0

Ti Ti Tc