data_BaNa2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   6.74
_cell_angle_alpha   140.83
_cell_angle_beta   140.83
_cell_angle_gamma   56.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNa2B
_chemical_formula_sum   'Ba1 Na2 B1'
_cell_volume   120.98
_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
  Ba  Ba1  1  0.0  0.0  0.93  1.0
  Na  Na2  1  0.0  0.26  0.97  1.0
  Na  Na3  1  0.26  0.0  0.97  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_BaNa2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   118.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaNa2B
_chemical_formula_sum   'Ba2 Na4 B2'
_cell_volume   241.97
_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
  Ba  Ba0  2  0.43  0.5  0.93  1.0
  Na  Na1  4  0.34  0.37  0.71  1.0
  B  B2  2  0.0  0.0  0.0  1.0

Ba Na Na B