data_NaMoPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   5.56
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   97.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMoPb2
_chemical_formula_sum   'Na1 Mo1 Pb2'
_cell_volume   94.14
_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
  Na  Na1  1  0.06  0.0  0.25  1.0
  Mo  Mo0  1  0.11  0.78  0.89  1.0
  Pb  Pb2  1  0.05  0.78  0.19  1.0
  Pb  Pb3  1  0.37  0.0  0.86  1.0

data_NaMoPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   5.51
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMoPb2
_chemical_formula_sum   'Na1 Mo1 Pb2'
_cell_volume   94.14
_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
  Na  Na0  1  0.94  0.75  0.0  1.0
  Mo  Mo1  1  0.89  0.11  0.22  1.0
  Pb  Pb2  1  0.63  0.14  0.0  1.0
  Pb  Pb3  1  0.95  0.81  0.22  1.0

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