data_TiSb2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   5.06
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSb2Pb
_chemical_formula_sum   'Ti1 Sb2 Pb1'
_cell_volume   99.95
_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  0.0  1.0
  Sb  Sb1  1  0.89  0.53  0.0  1.0
  Sb  Sb2  1  0.0  0.53  0.61  1.0
  Pb  Pb0  1  0.89  0.0  0.61  1.0

data_TiSb2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   5.06
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSb2Pb
_chemical_formula_sum   'Ti1 Sb2 Pb1'
_cell_volume   99.95
_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
  Sb  Sb1  1  0.0  0.53  0.61  1.0
  Sb  Sb2  1  0.89  0.53  0.0  1.0
  Pb  Pb3  1  0.89  0.0  0.61  1.0

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