data_SrSc2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   3.4
_cell_angle_alpha   103.85
_cell_angle_beta   103.85
_cell_angle_gamma   118.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Pb
_chemical_formula_sum   'Sr1 Sc2 Pb1'
_cell_volume   116.01
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.91  0.17  0.51  1.0
  Sc  Sc2  1  0.91  0.83  0.51  1.0
  Pb  Pb0  1  0.4  0.0  0.0  1.0

data_SrSc2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   6.03
_cell_length_c   6.61
_cell_angle_alpha   116.49
_cell_angle_beta   103.85
_cell_angle_gamma   92.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Pb
_chemical_formula_sum   'Sr1 Sc2 Pb1'
_cell_volume   116.01
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.34  0.83  0.74  1.0
  Sc  Sc2  1  0.67  0.17  0.08  1.0
  Pb  Pb3  1  0.0  0.0  0.4  1.0

Sr Sc Sc Pb