data_ScIr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   5.19
_cell_angle_alpha   101.26
_cell_angle_beta   101.26
_cell_angle_gamma   37.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScIr2Pb
_chemical_formula_sum   'Sc1 Ir2 Pb1'
_cell_volume   72.94
_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  0.59  0.0  0.19  1.0
  Ir  Ir1  1  0.56  0.0  0.89  1.0
  Pb  Pb2  1  0.07  0.0  0.54  1.0

data_ScIr2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.86
_cell_length_c   5.19
_cell_angle_alpha   101.26
_cell_angle_beta   90.0
_cell_angle_gamma   108.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScIr2Pb
_chemical_formula_sum   'Sc1 Ir2 Pb1'
_cell_volume   72.94
_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  0.41  0.81  1.0
  Ir  Ir2  1  0.0  0.44  0.11  1.0
  Pb  Pb3  1  0.0  0.93  0.46  1.0

Sc Ir Ir Pb