data_TiTcSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53
_cell_length_b   4.32
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTcSn2
_chemical_formula_sum   'Ti1 Tc1 Sn2'
_cell_volume   75.89
_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  0.0  1.0
  Tc  Tc2  1  0.76  0.0  0.49  1.0
  Sn  Sn0  1  0.0  0.16  0.49  1.0
  Sn  Sn1  1  0.76  0.16  0.0  1.0

data_TiTcSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.32
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTcSn2
_chemical_formula_sum   'Ti1 Tc1 Sn2'
_cell_volume   75.89
_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  0.0  1.0
  Tc  Tc1  1  0.76  0.0  0.49  1.0
  Sn  Sn2  1  0.0  0.16  0.49  1.0
  Sn  Sn3  1  0.76  0.16  -0.0  1.0

Ti Tc Sn Sn
Ti Tc Sn Sn 0 3 - o o 1 2 + o o 