data_Sc2IrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   136.56
_cell_angle_beta   136.56
_cell_angle_gamma   63.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2IrPb
_chemical_formula_sum   'Sc2 Ir1 Pb1'
_cell_volume   79.98
_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  0.0  1.0
  Sc  Sc3  1  0.06  0.0  0.37  1.0
  Ir  Ir0  1  0.0  0.0  0.73  1.0
  Pb  Pb1  1  0.0  0.06  0.37  1.0

data_Sc2IrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   5.55
_cell_angle_alpha   111.72
_cell_angle_beta   111.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2IrPb
_chemical_formula_sum   'Sc2 Ir1 Pb1'
_cell_volume   79.98
_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
  Sc  Sc1  1  0.63  0.0  0.69  1.0
  Ir  Ir2  1  0.27  0.0  0.27  1.0
  Pb  Pb3  1  0.69  0.06  0.69  1.0

Sc Sc Ir Pb
Sc Sc Ir Pb 0 3 o o o 0 2 o o - 0 1 o o o 1 3 o o o 