data_SiAg2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   3.43
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   111.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAg2B
_chemical_formula_sum   'Si1 Ag2 B1'
_cell_volume   63.15
_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
  Si  Si3  1  0.43  0.72  0.31  1.0
  Ag  Ag0  1  0.06  0.0  0.0  1.0
  Ag  Ag1  1  0.37  0.72  0.16  1.0
  B  B2  1  0.88  0.0  0.16  1.0

data_SiAg2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.16
_cell_length_c   4.75
_cell_angle_alpha   111.26
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAg2B
_chemical_formula_sum   'Si1 Ag2 B1'
_cell_volume   63.15
_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
  Si  Si0  1  0.28  0.57  0.69  1.0
  Ag  Ag1  1  0.0  0.94  1.0  1.0
  Ag  Ag2  1  0.28  0.63  0.84  1.0
  B  B3  1  0.0  0.12  0.84  1.0

Si Ag Ag B