data_AgGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.1
_cell_angle_alpha   99.74
_cell_angle_beta   99.74
_cell_angle_gamma   33.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgGe3
_chemical_formula_sum   'Ag1 Ge3'
_cell_volume   76.33
_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  0.56  0.0  0.51  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.83  0.0  0.76  1.0
  Ge  Ge3  1  0.3  0.0  0.26  1.0

data_AgGe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   5.1
_cell_length_c   5.24
_cell_angle_alpha   99.74
_cell_angle_beta   106.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgGe3
_chemical_formula_sum   'Ag1 Ge3'
_cell_volume   76.33
_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  0.51  0.56  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.26  0.3  1.0
  Ge  Ge3  1  0.0  0.76  0.83  1.0

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