data_AgB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgB2
_chemical_formula_sum   'Ag3 B6'
_cell_volume   100.42
_cell_formula_units_Z   3
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
  Ag  Ag0  1  0.0  0.63  0.46  1.0
  Ag  Ag1  1  0.15  0.82  0.46  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  B  B3  1  0.78  0.0  0.46  1.0
  B  B4  1  0.11  0.54  0.46  1.0
  B  B5  1  0.26  0.91  0.46  1.0
  B  B6  1  0.08  0.0  0.0  1.0
  B  B7  1  0.96  0.54  0.0  1.0
  B  B8  1  0.1  0.91  0.0  1.0

data_AgB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgB2
_chemical_formula_sum   'Ag3 B6'
_cell_volume   100.42
_cell_formula_units_Z   3
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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.46  -0.0  0.63  1.0
  Ag  Ag2  1  0.46  0.15  0.82  1.0
  B  B3  1  0.0  0.08  0.0  1.0
  B  B4  1  0.0  0.96  0.54  1.0
  B  B5  1  0.0  0.1  0.91  1.0
  B  B6  1  0.46  0.11  0.54  1.0
  B  B7  1  0.46  0.26  0.91  1.0
  B  B8  1  0.46  0.78  0.0  1.0

Ag Ag Ag B B B B B B
Ag Ag Ag B B B B B B 0 4 o o o 0 1 o o o 0 7 - o + 0 7 - o o 1 5 o o o 2 6 o o o 2 3 - o o 2 3 - o - 3 6 + o o 4 7 - o + 4 7 - o o 6 8 o - o 