data_Ag2B3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72
_cell_length_b   7.72
_cell_length_c   7.72
_cell_angle_alpha   22.36
_cell_angle_beta   22.36
_cell_angle_gamma   22.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2B3
_chemical_formula_sum   'Ag2 B3'
_cell_volume   58.36
_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  0.0  0.0  0.44  1.0
  Ag  Ag1  1  0.0  0.0  0.13  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  B  B3  1  0.0  0.0  0.76  1.0
  B  B4  1  0.0  0.0  0.8  1.0

data_Ag2B3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.18
_cell_length_b   2.99
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   102.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag2B3
_chemical_formula_sum   'Ag4 B6'
_cell_volume   116.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.87  1.0
  Ag  Ag1  2  0.0  0.0  0.56  1.0
  B  B2  2  0.0  0.0  0.2  1.0
  B  B3  2  0.0  0.0  0.24  1.0
  B  B4  2  0.0  0.0  0.0  1.0

Ag Ag B B B
Ag Ag B B B 0 0 o + - 0 0 + - o 0 0 + o - 0 1 o o o 0 4 o o o 0 3 o o o 1 2 o o o 3 4 o o o 