data_Na3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   15.18
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3B
_chemical_formula_sum   'Na18 B6'
_cell_volume   516.42
_cell_formula_units_Z   6
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  Na6  1  0.59  0.5  0.9  1.0
  Na  Na7  1  0.59  0.68  0.9  1.0
  Na  Na8  1  0.59  0.59  0.56  1.0
  Na  Na9  1  0.57  0.0  0.82  1.0
  Na  Na10  1  0.58  0.08  0.47  1.0
  Na  Na11  1  0.58  0.09  0.47  1.0
  Na  Na12  1  0.16  0.0  0.19  1.0
  Na  Na13  1  0.16  0.16  0.79  1.0
  Na  Na14  1  0.16  0.02  0.79  1.0
  Na  Na15  1  0.74  0.5  0.9  1.0
  Na  Na16  1  0.74  0.68  0.9  1.0
  Na  Na17  1  0.74  0.59  0.56  1.0
  Na  Na18  1  0.76  0.0  0.82  1.0
  Na  Na19  1  0.75  0.08  0.47  1.0
  Na  Na20  1  0.75  0.09  0.47  1.0
  Na  Na21  1  0.0  0.59  0.18  1.0
  Na  Na22  1  0.0  0.57  0.59  1.0
  Na  Na23  1  0.0  0.61  0.59  1.0
  B  B0  1  0.16  0.59  0.26  1.0
  B  B1  1  0.16  0.57  0.57  1.0
  B  B2  1  0.16  0.61  0.57  1.0
  B  B3  1  0.0  0.0  0.11  1.0
  B  B4  1  0.0  0.16  0.81  1.0
  B  B5  1  0.0  0.02  0.81  1.0

data_Na3B
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.38
_cell_length_b   6.33
_cell_length_c   15.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3B
_chemical_formula_sum   'Na18 B6'
_cell_volume   516.42
_cell_formula_units_Z   6
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  0.18  -0.0  0.59  1.0
  Na  Na1  1  0.19  0.16  0.0  1.0
  Na  Na2  1  0.47  0.58  0.08  1.0
  Na  Na3  1  0.47  0.58  0.09  1.0
  Na  Na4  1  0.47  0.75  0.08  1.0
  Na  Na5  1  0.47  0.75  0.09  1.0
  Na  Na6  1  0.56  0.59  0.59  1.0
  Na  Na7  1  0.56  0.74  0.59  1.0
  Na  Na8  1  0.59  -0.0  0.61  1.0
  Na  Na9  1  0.59  -0.0  0.57  1.0
  Na  Na10  1  0.79  0.16  0.02  1.0
  Na  Na11  1  0.79  0.16  0.16  1.0
  Na  Na12  1  0.82  0.57  0.0  1.0
  Na  Na13  1  0.82  0.76  0.0  1.0
  Na  Na14  1  0.9  0.59  0.5  1.0
  Na  Na15  1  0.9  0.59  0.68  1.0
  Na  Na16  1  0.9  0.74  0.5  1.0
  Na  Na17  1  0.9  0.74  0.68  1.0
  B  B18  1  0.11  0.0  0.0  1.0
  B  B19  1  0.26  0.16  0.59  1.0
  B  B20  1  0.57  0.16  0.57  1.0
  B  B21  1  0.57  0.16  0.61  1.0
  B  B22  1  0.81  -0.0  0.16  1.0
  B  B23  1  0.81  -0.0  0.02  1.0

Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na B B B B B B
Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na B B B B B B 0 9 o o o 1 10 o o o 2 11 o o o 3 12 o o o 4 5 o o o 6 21 o o o 7 22 o o o 8 23 o o o 13 14 o o o 15 18 o o o 16 17 o o o 19 20 o o o 