data_NaB2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   6.54
_cell_length_c   6.54
_cell_angle_alpha   34.15
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaB2Pb
_chemical_formula_sum   'Na1 B2 Pb1'
_cell_volume   76.47
_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  Na2  1  0.0  0.0  0.28  1.0
  B  B0  1  0.0  0.0  0.36  1.0
  B  B1  1  0.59  0.0  0.29  1.0
  Pb  Pb3  1  0.59  0.0  0.86  1.0

data_NaB2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   3.84
_cell_length_c   6.54
_cell_angle_alpha   107.07
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaB2Pb
_chemical_formula_sum   'Na1 B2 Pb1'
_cell_volume   76.47
_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  0.0  0.28  0.28  1.0
  B  B1  1  0.0  0.36  0.36  1.0
  B  B2  1  0.41  0.29  0.29  1.0
  Pb  Pb3  1  0.41  0.86  0.86  1.0

Na B B Pb