data_ScIrPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   3.36
_cell_angle_alpha   105.3
_cell_angle_beta   105.3
_cell_angle_gamma   117.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScIrPb2
_chemical_formula_sum   'Sc1 Ir1 Pb2'
_cell_volume   91.0
_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  Sc3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.09  0.0  0.0  1.0
  Pb  Pb1  1  0.69  0.46  0.45  1.0
  Pb  Pb2  1  0.69  0.54  0.45  1.0

data_ScIrPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   5.32
_cell_length_c   5.95
_cell_angle_alpha   115.82
_cell_angle_beta   105.3
_cell_angle_gamma   92.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScIrPb2
_chemical_formula_sum   'Sc1 Ir1 Pb2'
_cell_volume   91.0
_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  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.09  1.0
  Pb  Pb2  1  0.9  0.46  0.15  1.0
  Pb  Pb3  1  0.99  0.54  0.23  1.0

Sc Ir Pb Pb