data_Mo2PbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   4.28
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2PbAu
_chemical_formula_sum   'Mo2 Pb1 Au1'
_cell_volume   77.98
_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  0.53  0.14  0.16  1.0
  Mo  Mo2  1  0.53  0.14  0.79  1.0
  Pb  Pb3  1  0.0  0.0  0.98  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Mo2PbAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.28
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2PbAu
_chemical_formula_sum   'Mo2 Pb1 Au1'
_cell_volume   77.98
_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  0.53  0.14  0.16  1.0
  Mo  Mo1  1  0.53  0.14  0.79  1.0
  Pb  Pb2  1  0.0  0.0  0.98  1.0
  Au  Au3  1  0.0  0.0  0.0  1.0

Mo Mo Pb Au
Mo Mo Pb Au 0 3 o o o 0 3 + o o 0 2 o o - 0 2 + o - 0 1 o o - 1 3 o o + 1 3 + o + 1 2 o o o 1 2 + o o 2 3 o o + 