data_GaAg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.48
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   100.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAg2Ge
_chemical_formula_sum   'Ga1 Ag2 Ge1'
_cell_volume   73.66
_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
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.83  0.24  0.22  1.0
  Ag  Ag1  1  0.04  0.24  0.35  1.0
  Ge  Ge3  1  0.94  0.0  0.79  1.0

data_GaAg2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.48
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   100.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAg2Ge
_chemical_formula_sum   'Ga1 Ag2 Ge1'
_cell_volume   73.66
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.04  0.24  0.35  1.0
  Ag  Ag2  1  0.83  0.24  0.22  1.0
  Ge  Ge3  1  0.94  0.0  0.79  1.0

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