data_ZnB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   6.47
_cell_angle_alpha   121.89
_cell_angle_beta   121.89
_cell_angle_gamma   24.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnB2
_chemical_formula_sum   'Zn2 B4'
_cell_volume   59.02
_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  Zn4  1  0.07  0.0  0.03  1.0
  Zn  Zn5  1  0.39  0.0  0.41  1.0
  B  B0  1  0.13  0.0  0.68  1.0
  B  B1  1  0.12  0.0  0.57  1.0
  B  B2  1  0.34  0.0  0.87  1.0
  B  B3  1  0.34  0.0  0.76  1.0

data_ZnB2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.18
_cell_length_b   5.1
_cell_length_c   5.75
_cell_angle_alpha   72.98
_cell_angle_beta   79.08
_cell_angle_gamma   77.68
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnB2
_chemical_formula_sum   'Zn2 B4'
_cell_volume   59.02
_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  0.0  0.03  0.81  1.0
  B  B1  2  0.0  0.44  0.46  1.0
  B  B2  2  0.0  0.46  0.65  1.0

Zn Zn B B B B
Zn Zn B B B B 0 0 + - o 0 4 o o - 0 2 o o - 0 1 o o o 1 5 o o o 1 3 o o o 1 1 + - o 2 3 o o o 4 5 o o o 