data_Sc2PdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   4.4
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2PdPb
_chemical_formula_sum   'Sc2 Pd1 Pb1'
_cell_volume   89.57
_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  Sc2  1  0.69  0.2  0.78  1.0
  Sc  Sc3  1  0.0  0.0  0.55  1.0
  Pd  Pd1  1  0.0  0.0  0.89  1.0
  Pb  Pb0  1  0.69  0.2  0.84  1.0

data_Sc2PdPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.4
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2PdPb
_chemical_formula_sum   'Sc2 Pd1 Pb1'
_cell_volume   89.57
_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  0.55  1.0
  Sc  Sc1  1  0.69  0.2  0.78  1.0
  Pd  Pd2  1  0.0  0.0  0.89  1.0
  Pb  Pb3  1  0.69  0.2  0.84  1.0

Sc Sc Pd Pb
Sc Sc Pd Pb 0 3 o o o 0 1 + o o 0 2 + o o 1 3 - o o 1 2 o o o 2 3 - o o 