data_MoIrPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   137.91
_cell_angle_beta   137.91
_cell_angle_gamma   61.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoIrPb2
_chemical_formula_sum   'Mo1 Ir1 Pb2'
_cell_volume   80.76
_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
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.03  0.44  1.0
  Pb  Pb2  1  0.03  0.0  0.44  1.0
  Pb  Pb3  1  0.0  0.0  0.88  1.0

data_MoIrPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   5.66
_cell_angle_alpha   111.04
_cell_angle_beta   111.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoIrPb2
_chemical_formula_sum   'Mo1 Ir1 Pb2'
_cell_volume   80.76
_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
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.41  0.44  0.41  1.0
  Pb  Pb2  1  0.44  0.41  0.41  1.0
  Pb  Pb3  1  0.88  0.88  0.88  1.0

Mo Ir Pb Pb