data_TiTePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   5.7
_cell_angle_alpha   109.52
_cell_angle_beta   109.52
_cell_angle_gamma   33.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTePb2
_chemical_formula_sum   'Ti1 Te1 Pb2'
_cell_volume   109.39
_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  0.74  0.0  0.99  1.0
  Te  Te2  1  0.14  0.0  0.67  1.0
  Pb  Pb0  1  0.32  0.0  0.54  1.0
  Pb  Pb1  1  0.27  0.0  0.82  1.0

data_TiTePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   5.7
_cell_length_c   6.08
_cell_angle_alpha   109.52
_cell_angle_beta   106.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTePb2
_chemical_formula_sum   'Ti1 Te1 Pb2'
_cell_volume   109.39
_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  0.99  0.74  1.0
  Te  Te1  1  0.0  0.67  0.14  1.0
  Pb  Pb2  1  0.0  0.54  0.32  1.0
  Pb  Pb3  1  0.0  0.82  0.27  1.0

Ti Te Pb Pb