data_SiAgGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   9.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAgGe2
_chemical_formula_sum   'Si1 Ag1 Ge2'
_cell_volume   72.07
_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  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.72  1.0
  Ge  Ge1  1  0.64  0.0  0.19  1.0
  Ge  Ge2  1  0.64  0.0  0.25  1.0

data_SiAgGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   9.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAgGe2
_chemical_formula_sum   'Si1 Ag1 Ge2'
_cell_volume   72.07
_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  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.0  0.72  1.0
  Ge  Ge2  1  0.64  0.0  0.19  1.0
  Ge  Ge3  1  0.64  0.0  0.25  1.0

Si Ag Ge Ge
Si Ag Ge Ge 0 3 - o o 0 2 - o o 0 2 o o o 0 1 o o - 1 1 + + o 1 1 o + o 1 1 + o o 2 3 o o o 