data_AsIr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   147.34
_cell_angle_beta   147.09
_cell_angle_gamma   47.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIr2Pb
_chemical_formula_sum   'As1 Ir2 Pb1'
_cell_volume   75.53
_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
  As  As0  1  0.0  0.0  0.17  1.0
  Ir  Ir1  1  0.0  0.8  0.04  1.0
  Ir  Ir2  1  0.0  0.0  0.82  1.0
  Pb  Pb3  1  0.0  0.8  0.5  1.0

data_AsIr2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   3.61
_cell_length_c   6.37
_cell_angle_alpha   106.45
_cell_angle_beta   106.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIr2Pb
_chemical_formula_sum   'As1 Ir2 Pb1'
_cell_volume   75.53
_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
  As  As0  1  0.83  0.83  0.83  1.0
  Ir  Ir1  1  0.18  0.18  0.18  1.0
  Ir  Ir2  1  0.96  0.77  0.77  1.0
  Pb  Pb3  1  0.5  0.3  0.3  1.0

As Ir Ir Pb