data_TiSi2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.27
_cell_angle_alpha   101.26
_cell_angle_beta   101.26
_cell_angle_gamma   37.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSi2Tc
_chemical_formula_sum   'Ti1 Si2 Tc1'
_cell_volume   56.5
_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  0.64  0.0  0.27  1.0
  Si  Si0  1  0.23  0.0  0.15  1.0
  Si  Si1  1  0.42  0.0  0.13  1.0
  Tc  Tc2  1  0.89  0.0  0.9  1.0

data_TiSi2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.27
_cell_length_c   4.71
_cell_angle_alpha   101.26
_cell_angle_beta   108.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSi2Tc
_chemical_formula_sum   'Ti1 Si2 Tc1'
_cell_volume   56.5
_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  0.27  0.64  1.0
  Si  Si1  1  0.0  0.13  0.42  1.0
  Si  Si2  1  0.0  0.15  0.23  1.0
  Tc  Tc3  1  0.0  0.9  0.89  1.0

Ti Si Si Tc