data_Sc2InPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   6.03
_cell_angle_alpha   101.35
_cell_angle_beta   101.35
_cell_angle_gamma   39.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2InPb
_chemical_formula_sum   'Sc2 In1 Pb1'
_cell_volume   99.68
_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  0.96  0.0  0.43  1.0
  Sc  Sc3  1  0.47  0.0  0.47  1.0
  In  In0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.22  0.0  0.95  1.0

data_Sc2InPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.15
_cell_length_c   6.03
_cell_angle_alpha   101.35
_cell_angle_beta   90.0
_cell_angle_gamma   109.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2InPb
_chemical_formula_sum   'Sc2 In1 Pb1'
_cell_volume   99.68
_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  0.04  0.57  1.0
  Sc  Sc1  1  0.0  0.53  0.53  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.78  0.05  1.0

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