data_TiTl2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   3.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTl2Tc
_chemical_formula_sum   'Ti1 Tl2 Tc1'
_cell_volume   77.22
_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  0.0  1.0
  Tl  Tl2  1  0.51  0.82  0.76  1.0
  Tl  Tl3  1  0.51  0.18  0.76  1.0
  Tc  Tc0  1  0.02  0.0  0.0  1.0

data_TiTl2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   100.56
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTl2Tc
_chemical_formula_sum   'Ti1 Tl2 Tc1'
_cell_volume   77.22
_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
  Tl  Tl1  1  0.76  0.51  0.18  1.0
  Tl  Tl2  1  0.76  0.51  0.82  1.0
  Tc  Tc3  1  0.0  0.02  0.0  1.0

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