data_Sc3Pb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03
_cell_length_b   6.15
_cell_length_c   9.12
_cell_angle_alpha   59.73
_cell_angle_beta   41.4
_cell_angle_gamma   78.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Pb2
_chemical_formula_sum   'Sc6 Pb4'
_cell_volume   243.2
_cell_formula_units_Z   2
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  Sc4  1  0.95  0.87  0.53  1.0
  Sc  Sc5  1  0.68  0.95  0.53  1.0
  Sc  Sc6  1  0.61  0.65  0.08  1.0
  Sc  Sc7  1  0.34  0.58  0.08  1.0
  Sc  Sc8  1  0.32  0.41  0.76  1.0
  Sc  Sc9  1  0.66  0.71  0.13  1.0
  Pb  Pb0  1  0.07  0.16  0.85  1.0
  Pb  Pb1  1  0.57  0.66  0.85  1.0
  Pb  Pb2  1  0.72  0.96  0.3  1.0
  Pb  Pb3  1  0.91  0.86  0.3  1.0

data_Sc3Pb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   8.03
_cell_angle_alpha   101.13
_cell_angle_beta   101.13
_cell_angle_gamma   119.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Pb2
_chemical_formula_sum   'Sc6 Pb4'
_cell_volume   243.2
_cell_formula_units_Z   2
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  0.08  0.35  0.68  1.0
  Sc  Sc1  1  0.08  0.42  0.42  1.0
  Sc  Sc2  1  0.13  0.29  0.79  1.0
  Sc  Sc3  1  0.53  0.05  0.22  1.0
  Sc  Sc4  1  0.53  0.13  0.48  1.0
  Sc  Sc5  1  0.76  0.59  0.08  1.0
  Pb  Pb6  1  0.3  0.04  0.03  1.0
  Pb  Pb7  1  0.3  0.14  0.21  1.0
  Pb  Pb8  1  0.85  0.34  0.42  1.0
  Pb  Pb9  1  0.85  0.84  0.91  1.0

Sc Sc Sc Sc Sc Sc Pb Pb Pb Pb
Sc Sc Sc Sc Sc Sc Pb Pb Pb Pb 0 9 o o o 0 7 o o o 0 1 o o o 1 7 o o o 1 9 o o o 1 8 o o o 2 5 o o o 3 7 o o - 4 6 o o o 6 8 - - + 8 9 o o o 