data_AgGe2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgGe2B
_chemical_formula_sum   'Ag1 Ge2 B1'
_cell_volume   66.48
_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  0.83  1.0
  Ge  Ge2  1  0.65  0.0  0.4  1.0
  Ge  Ge3  1  0.65  0.0  0.25  1.0
  B  B1  1  0.0  0.0  0.0  1.0

data_AgGe2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgGe2B
_chemical_formula_sum   'Ag1 Ge2 B1'
_cell_volume   66.48
_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  0.83  1.0
  Ge  Ge1  1  0.65  0.0  0.25  1.0
  Ge  Ge2  1  0.65  0.0  0.4  1.0
  B  B3  1  0.0  0.0  0.0  1.0

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