data_Sc2CdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   4.41
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CdPb
_chemical_formula_sum   'Sc2 Cd1 Pb1'
_cell_volume   97.58
_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  0.0  0.0  0.22  1.0
  Sc  Sc3  1  0.77  0.21  0.64  1.0
  Cd  Cd0  1  0.0  0.0  0.97  1.0
  Pb  Pb1  1  0.77  0.21  0.78  1.0

data_Sc2CdPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.41
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CdPb
_chemical_formula_sum   'Sc2 Cd1 Pb1'
_cell_volume   97.58
_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  0.22  1.0
  Sc  Sc1  1  0.77  0.21  0.64  1.0
  Cd  Cd2  1  0.0  0.0  0.97  1.0
  Pb  Pb3  1  0.77  0.21  0.78  1.0

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