data_ZnB3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   3.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnB3
_chemical_formula_sum   'Zn2 B6'
_cell_volume   72.34
_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  Zn6  1  0.0  0.94  0.81  1.0
  Zn  Zn7  1  0.54  0.47  0.42  1.0
  B  B0  1  0.0  0.03  0.42  1.0
  B  B1  1  0.65  0.89  0.42  1.0
  B  B2  1  0.35  0.89  0.42  1.0
  B  B3  1  0.54  0.38  0.81  1.0
  B  B4  1  0.89  0.51  0.81  1.0
  B  B5  1  0.2  0.51  0.81  1.0

data_ZnB3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.23
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnB3
_chemical_formula_sum   'Zn2 B6'
_cell_volume   72.34
_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  0.31  0.27  0.27  1.0
  B  B1  2  0.31  0.07  0.69  1.0
  B  B2  2  0.31  0.38  0.69  1.0
  B  B3  2  0.31  0.73  0.82  1.0

Zn Zn B B B B B B