data_NaB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaB2
_chemical_formula_sum   'Na2 B4'
_cell_volume   67.74
_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
  Na  Na4  1  0.0  0.32  0.63  1.0
  Na  Na5  1  0.01  0.16  0.21  1.0
  B  B0  1  0.0  0.0  0.42  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.01  0.16  0.63  1.0
  B  B3  1  0.0  0.32  0.21  1.0

data_NaB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.02
_cell_length_b   6.97
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaB2
_chemical_formula_sum   'Na4 B8'
_cell_volume   135.49
_cell_formula_units_Z   4
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  0.16  0.0  0.21  1.0
  Na  Na1  2  0.32  0.0  0.63  1.0
  B  B2  2  -0.0  0.0  0.0  1.0
  B  B3  2  -0.0  0.0  0.42  1.0
  B  B4  2  0.16  0.0  0.63  1.0
  B  B5  2  0.32  0.0  0.21  1.0

Na Na B B B B