data_AgBSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.46
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBSb2
_chemical_formula_sum   'Ag1 B1 Sb2'
_cell_volume   77.03
_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  0.4  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.64  0.73  0.41  1.0
  Sb  Sb3  1  0.64  0.73  0.38  1.0

data_AgBSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.46
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBSb2
_chemical_formula_sum   'Ag1 B1 Sb2'
_cell_volume   77.03
_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  0.4  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.64  0.73  0.38  1.0
  Sb  Sb3  1  0.64  0.73  0.41  1.0

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