data_Sb2IrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   6.62
_cell_angle_alpha   108.18
_cell_angle_beta   108.18
_cell_angle_gamma   46.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2IrPb
_chemical_formula_sum   'Sb2 Ir1 Pb1'
_cell_volume   106.23
_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
  Sb  Sb2  1  0.62  0.0  0.23  1.0
  Sb  Sb3  1  0.47  0.0  0.45  1.0
  Ir  Ir0  1  0.85  0.0  0.11  1.0
  Pb  Pb1  1  0.0  0.0  0.55  1.0

data_Sb2IrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   4.85
_cell_length_c   6.62
_cell_angle_alpha   108.18
_cell_angle_beta   90.0
_cell_angle_gamma   113.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2IrPb
_chemical_formula_sum   'Sb2 Ir1 Pb1'
_cell_volume   106.23
_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
  Sb  Sb0  1  0.0  0.38  0.77  1.0
  Sb  Sb1  1  0.0  0.53  0.55  1.0
  Ir  Ir2  1  0.0  0.15  0.89  1.0
  Pb  Pb3  1  0.0  1.0  0.45  1.0

Sb Sb Ir Pb