data_AgGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85
_cell_length_b   7.85
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   158.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgGe2
_chemical_formula_sum   'Ag2 Ge4'
_cell_volume   114.42
_cell_formula_units_Z   2
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  0.5  0.29  0.72  1.0
  Ag  Ag1  1  0.5  0.71  0.24  1.0
  Ge  Ge2  1  0.5  0.15  0.72  1.0
  Ge  Ge3  1  0.5  0.43  0.72  1.0
  Ge  Ge4  1  0.5  0.57  0.24  1.0
  Ge  Ge5  1  0.5  0.85  0.24  1.0

data_AgGe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.99
_cell_length_b   4.96
_cell_length_c   7.85
_cell_angle_alpha   90.0
_cell_angle_beta   100.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AgGe2
_chemical_formula_sum   'Ag2 Ge4'
_cell_volume   114.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.29  0.26  0.79  1.0
  Ge  Ge1  2  0.15  0.26  0.65  1.0
  Ge  Ge2  2  0.43  0.26  0.93  1.0

Ag Ag Ge Ge Ge Ge
Ag Ag Ge Ge Ge Ge 0 3 o o o 0 2 o o o 1 5 o o o 1 4 o o o 