data_TiTe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   10.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTe2Pb
_chemical_formula_sum   'Ti1 Te2 Pb1'
_cell_volume   112.66
_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  0.5  1.0
  Te  Te1  1  0.0  0.0  0.1  1.0
  Te  Te2  1  0.08  0.0  0.29  1.0
  Pb  Pb0  1  0.08  0.0  0.25  1.0

data_TiTe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   10.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTe2Pb
_chemical_formula_sum   'Ti1 Te2 Pb1'
_cell_volume   112.66
_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  0.5  1.0
  Te  Te1  1  0.0  0.0  0.1  1.0
  Te  Te2  1  0.08  0.0  0.29  1.0
  Pb  Pb3  1  0.08  0.0  0.25  1.0

Ti Te Te Pb
Ti Te Te Pb 0 2 o o o 1 3 o o o 2 3 o o o 