data_NaBSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   146.72
_cell_angle_beta   146.72
_cell_angle_gamma   47.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBSb
_chemical_formula_sum   'Na1 B1 Sb1'
_cell_volume   62.56
_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  0.0  0.0  0.58  1.0
  B  B0  1  0.0  0.0  0.68  1.0
  Sb  Sb2  1  0.0  0.0  0.59  1.0

data_NaBSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   113.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaBSb
_chemical_formula_sum   'Na2 B2 Sb2'
_cell_volume   125.12
_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
  Na  Na0  2  0.0  0.0  0.42  1.0
  B  B1  2  0.0  0.0  0.32  1.0
  Sb  Sb2  2  0.0  0.0  0.41  1.0

Na B Sb
Na B Sb 0 2 o o o 1 2 o o o 