data_Mo2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   6.8
_cell_angle_alpha   101.24
_cell_angle_beta   101.24
_cell_angle_gamma   34.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2Pb
_chemical_formula_sum   'Mo4 Pb2'
_cell_volume   115.5
_cell_formula_units_Z   2
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  0.08  0.0  0.46  1.0
  Mo  Mo1  1  0.4  0.0  0.21  1.0
  Mo  Mo2  1  0.87  0.0  0.4  1.0
  Mo  Mo3  1  0.12  0.0  0.03  1.0
  Pb  Pb4  1  0.77  0.0  0.72  1.0
  Pb  Pb5  1  0.78  0.0  0.25  1.0

data_Mo2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.52
_cell_length_c   6.8
_cell_angle_alpha   101.24
_cell_angle_beta   90.0
_cell_angle_gamma   107.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2Pb
_chemical_formula_sum   'Mo4 Pb2'
_cell_volume   115.5
_cell_formula_units_Z   2
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  0.13  0.6  1.0
  Mo  Mo1  1  0.0  0.6  0.79  1.0
  Mo  Mo2  1  0.0  0.88  0.97  1.0
  Mo  Mo3  1  0.0  0.92  0.54  1.0
  Pb  Pb4  1  0.0  0.22  0.75  1.0
  Pb  Pb5  1  0.0  0.23  0.28  1.0

Mo Mo Mo Mo Pb Pb
Mo Mo Mo Mo Pb Pb 0 2 - o o 0 4 - o o 1 3 o o o 1 5 o o o 2 5 o o o 2 4 o o o 3 4 - o - 