data_TiSiTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSiTc2
_chemical_formula_sum   'Ti1 Si1 Tc2'
_cell_volume   58.3
_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  Ti3  1  0.0  0.0  0.98  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.56  0.0  0.88  1.0
  Tc  Tc2  1  0.56  0.0  0.08  1.0

data_TiSiTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSiTc2
_chemical_formula_sum   'Ti1 Si1 Tc2'
_cell_volume   58.3
_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  0.98  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.56  0.0  0.08  1.0
  Tc  Tc3  1  0.56  0.0  0.88  1.0

Ti Si Tc Tc