data_ZnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   2.41
_cell_length_c   3.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnB
_chemical_formula_sum   'Zn2 B2'
_cell_volume   46.04
_cell_formula_units_Z   2
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
  Zn  Zn2  1  0.89  0.21  0.32  1.0
  Zn  Zn3  1  0.3  0.21  0.36  1.0
  B  B0  1  0.89  0.0  0.19  1.0
  B  B1  1  0.3  0.0  0.49  1.0

data_ZnB
_symmetry_space_group_name_H-M   P2
_cell_length_a   3.68
_cell_length_b   2.41
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   ZnB
_chemical_formula_sum   'Zn2 B2'
_cell_volume   46.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Zn  Zn0  2  0.02  0.79  0.2  1.0
  B  B1  2  0.15  0.0  0.2  1.0

Zn Zn B B
Zn Zn B B 0 2 o o o 1 3 o o o 