data_ScInPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   146.4
_cell_angle_beta   137.59
_cell_angle_gamma   55.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScInPb
_chemical_formula_sum   'Sc1 In1 Pb1'
_cell_volume   76.25
_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  0.53  1.0
  In  In0  1  0.0  0.0  0.38  1.0
  Pb  Pb1  1  0.0  0.0  0.03  1.0

data_ScInPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.27
_cell_length_c   5.9
_cell_angle_alpha   111.2
_cell_angle_beta   106.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScInPb
_chemical_formula_sum   'Sc1 In1 Pb1'
_cell_volume   76.25
_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  0.53  0.53  1.0
  In  In1  1  0.0  0.38  0.38  1.0
  Pb  Pb2  1  0.0  0.03  0.03  1.0

Sc In Pb