data_NaB2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   6.37
_cell_angle_alpha   106.02
_cell_angle_beta   106.02
_cell_angle_gamma   58.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaB2Sb
_chemical_formula_sum   'Na1 B2 Sb1'
_cell_volume   71.53
_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  0.0  1.0
  B  B0  1  0.37  0.0  0.91  1.0
  B  B1  1  0.12  0.0  0.13  1.0
  Sb  Sb3  1  0.24  0.0  0.02  1.0

data_NaB2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.73
_cell_length_c   6.37
_cell_angle_alpha   106.02
_cell_angle_beta   90.0
_cell_angle_gamma   119.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaB2Sb
_chemical_formula_sum   'Na1 B2 Sb1'
_cell_volume   71.53
_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  0.0  0.0  1.0
  B  B1  1  0.0  0.63  0.09  1.0
  B  B2  1  0.0  0.88  0.87  1.0
  Sb  Sb3  1  0.0  0.76  0.98  1.0

Na B B Sb