data_Zr2IrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.33
_cell_length_c   7.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2IrPb
_chemical_formula_sum   'Zr2 Ir1 Pb1'
_cell_volume   87.58
_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
  Zr  Zr2  1  0.0  0.0  0.77  1.0
  Zr  Zr3  1  0.33  0.0  0.6  1.0
  Ir  Ir0  1  0.0  0.0  0.19  1.0
  Pb  Pb1  1  0.33  0.0  0.19  1.0

data_Zr2IrPb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.33
_cell_length_b   3.33
_cell_length_c   7.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Zr2IrPb
_chemical_formula_sum   'Zr2 Ir1 Pb1'
_cell_volume   87.61
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Zr  Zr0  1  0.0  0.0  0.77  1.0
  Zr  Zr1  1  0.33  0.0  0.6  1.0
  Ir  Ir2  1  0.0  0.0  0.19  1.0
  Pb  Pb3  1  0.33  0.0  0.19  1.0

Zr Zr Ir Pb