data_NaBPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   8.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBPb2
_chemical_formula_sum   'Na1 B1 Pb2'
_cell_volume   97.72
_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  0.69  0.69  0.91  1.0
  B  B0  1  0.0  0.0  0.14  1.0
  Pb  Pb2  1  0.0  0.0  0.54  1.0
  Pb  Pb3  1  0.69  0.69  0.78  1.0

data_NaBPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   8.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaBPb2
_chemical_formula_sum   'Na2 B2 Pb4'
_cell_volume   195.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.19  0.5  0.91  1.0
  B  B1  2  0.0  0.0  0.14  1.0
  Pb  Pb2  2  0.0  0.0  0.54  1.0
  Pb  Pb3  2  0.19  0.5  0.78  1.0

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