data_SrSc2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.28
_cell_length_b   11.28
_cell_length_c   11.28
_cell_angle_alpha   17.98
_cell_angle_beta   17.98
_cell_angle_gamma   17.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Pb
_chemical_formula_sum   'Sr1 Sc2 Pb1'
_cell_volume   119.4
_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  0.0  0.0  0.27  1.0
  Sc  Sc2  1  0.0  0.0  0.01  1.0
  Pb  Pb0  1  0.0  0.0  0.64  1.0

data_SrSc2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.11
_cell_length_b   3.53
_cell_length_c   11.28
_cell_angle_alpha   90.0
_cell_angle_beta   100.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrSc2Pb
_chemical_formula_sum   'Sr2 Sc4 Pb2'
_cell_volume   238.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Sc  Sc1  2  0.0  0.0  0.73  1.0
  Sc  Sc2  2  0.0  0.0  0.99  1.0
  Pb  Pb3  2  0.0  0.0  0.36  1.0

Sr Sc Sc Pb