data_ScTi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   3.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTi2Pb
_chemical_formula_sum   'Sc1 Ti2 Pb1'
_cell_volume   82.11
_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
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Ti  Ti2  1  0.52  0.16  0.57  1.0
  Ti  Ti3  1  0.52  0.84  0.57  1.0
  Pb  Pb0  1  0.03  0.0  0.0  1.0

data_ScTi2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   109.78
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTi2Pb
_chemical_formula_sum   'Sc1 Ti2 Pb1'
_cell_volume   82.11
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.57  0.52  0.16  1.0
  Ti  Ti2  1  0.57  0.52  0.84  1.0
  Pb  Pb3  1  0.0  0.03  0.0  1.0

Sc Ti Ti Pb
Sc Ti Ti Pb 0 3 o o o 1 2 o - o 