data_Ag3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.64
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   107.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3B
_chemical_formula_sum   'Ag3 B1'
_cell_volume   62.97
_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
  Ag  Ag0  1  0.87  0.82  0.13  1.0
  Ag  Ag1  1  0.19  0.0  0.63  1.0
  Ag  Ag2  1  0.79  0.82  0.13  1.0
  B  B3  1  0.0  0.0  0.0  1.0

data_Ag3B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.64
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   107.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3B
_chemical_formula_sum   'Ag3 B1'
_cell_volume   62.97
_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
  Ag  Ag0  1  0.19  0.0  0.63  1.0
  Ag  Ag1  1  0.79  0.82  0.13  1.0
  Ag  Ag2  1  0.87  0.82  0.13  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Ag Ag Ag B
Ag Ag Ag B 0 2 o o o 0 1 + + o 0 1 o + - 0 3 + + o 1 2 - - o 1 2 o - + 1 3 o o + 1 3 + o + 2 3 + + o 