data_MoPd2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   4.02
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPd2Pb
_chemical_formula_sum   'Mo1 Pd2 Pb1'
_cell_volume   71.24
_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
  Pd  Pd2  1  0.51  0.01  0.56  1.0
  Pd  Pd3  1  0.51  0.01  0.32  1.0
  Pb  Pb1  1  0.0  0.0  0.94  1.0

data_MoPd2Pb
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.01
_cell_length_b   4.02
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   MoPd2Pb
_chemical_formula_sum   'Mo1 Pd2 Pb1'
_cell_volume   71.24
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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
  Pd  Pd1  1  0.5  0.0  0.32  1.0
  Pd  Pd2  1  0.5  0.0  0.56  1.0
  Pb  Pb3  1  0.0  0.0  0.94  1.0

Mo Pd Pd Pb