data_NaBSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   3.43
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   109.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBSb2
_chemical_formula_sum   'Na1 B1 Sb2'
_cell_volume   100.39
_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  Na1  1  0.97  0.0  0.95  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.2  0.72  0.01  1.0
  Sb  Sb3  1  0.69  0.72  0.88  1.0

data_NaBSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.96
_cell_length_c   6.24
_cell_angle_alpha   109.34
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBSb2
_chemical_formula_sum   'Na1 B1 Sb2'
_cell_volume   100.39
_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  0.03  0.05  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.28  0.31  0.12  1.0
  Sb  Sb3  1  0.28  0.8  0.99  1.0

Na B Sb Sb