data_MoIr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   4.75
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoIr2Pb
_chemical_formula_sum   'Mo1 Ir2 Pb1'
_cell_volume   68.27
_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  Mo2  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.49  0.37  0.0  1.0
  Ir  Ir1  1  0.0  0.37  0.41  1.0
  Pb  Pb3  1  0.49  0.0  0.41  1.0

data_MoIr2Pb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.75
_cell_length_b   2.99
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MoIr2Pb
_chemical_formula_sum   'Mo1 Ir2 Pb1'
_cell_volume   68.27
_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
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.37  0.0  0.41  1.0
  Ir  Ir2  1  0.37  0.5  -0.0  1.0
  Pb  Pb3  1  0.0  0.5  0.41  1.0

Mo Ir Ir Pb