data_Si2AgB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2AgB
_chemical_formula_sum   'Si2 Ag1 B1'
_cell_volume   57.11
_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  Si2  1  0.33  0.84  0.46  1.0
  Si  Si3  1  0.33  0.16  0.46  1.0
  Ag  Ag0  1  0.65  0.0  0.0  1.0
  B  B1  1  0.0  0.0  0.0  1.0

data_Si2AgB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   108.39
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2AgB
_chemical_formula_sum   'Si2 Ag1 B1'
_cell_volume   57.11
_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  0.46  0.33  0.84  1.0
  Si  Si1  1  0.46  0.33  0.16  1.0
  Ag  Ag2  1  -0.0  0.65  0.0  1.0
  B  B3  1  0.0  0.0  0.0  1.0

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