data_TiTlPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   6.48
_cell_angle_alpha   148.73
_cell_angle_beta   148.73
_cell_angle_gamma   44.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTlPb
_chemical_formula_sum   'Ti1 Tl1 Pb1'
_cell_volume   72.98
_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  0.94  1.0
  Tl  Tl2  1  0.0  0.0  0.23  1.0
  Pb  Pb0  1  0.0  0.0  0.78  1.0

data_TiTlPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   112.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiTlPb
_chemical_formula_sum   'Ti2 Tl2 Pb2'
_cell_volume   145.96
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.44  0.5  0.94  1.0
  Tl  Tl1  2  0.23  0.0  0.23  1.0
  Pb  Pb2  2  0.28  0.5  0.78  1.0

Ti Tl Pb
Ti Tl Pb 0 2 o o o 0 1 o o + 