data_TiTc2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   144.21
_cell_angle_beta   131.25
_cell_angle_gamma   61.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTc2Pb
_chemical_formula_sum   'Ti1 Tc2 Pb1'
_cell_volume   67.5
_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  0.0  0.0  0.72  1.0
  Tc  Tc1  1  0.0  0.0  0.12  1.0
  Tc  Tc2  1  0.0  0.22  0.31  1.0
  Pb  Pb0  1  0.65  0.0  0.28  1.0

data_TiTc2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.44
_cell_length_c   5.37
_cell_angle_alpha   114.37
_cell_angle_beta   107.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTc2Pb
_chemical_formula_sum   'Ti1 Tc2 Pb1'
_cell_volume   67.5
_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  0.28  0.28  0.28  1.0
  Tc  Tc1  1  0.69  0.91  0.91  1.0
  Tc  Tc2  1  0.88  0.88  0.88  1.0
  Pb  Pb3  1  0.38  0.72  0.38  1.0

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