data_MoPdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   5.93
_cell_angle_alpha   101.42
_cell_angle_beta   101.42
_cell_angle_gamma   37.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPdPb2
_chemical_formula_sum   'Mo1 Pd1 Pb2'
_cell_volume   83.99
_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  Pd3  1  0.02  0.0  0.9  1.0
  Pb  Pb1  1  0.37  0.0  0.36  1.0
  Pb  Pb2  1  0.67  0.0  0.44  1.0

data_MoPdPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.9
_cell_length_c   5.93
_cell_angle_alpha   101.42
_cell_angle_beta   90.0
_cell_angle_gamma   108.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPdPb2
_chemical_formula_sum   'Mo1 Pd1 Pb2'
_cell_volume   83.99
_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  Pd1  1  0.0  0.98  0.1  1.0
  Pb  Pb2  1  0.0  0.33  0.56  1.0
  Pb  Pb3  1  0.0  0.63  0.64  1.0

Mo Pd Pb Pb
Mo Pd Pb Pb 0 1 o o - 2 3 o o o 