data_AlAg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   9.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg2Ge
_chemical_formula_sum   'Al1 Ag2 Ge1'
_cell_volume   72.01
_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
  Al  Al2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.64  0.0  0.91  1.0
  Ag  Ag1  1  0.64  0.0  0.14  1.0
  Ge  Ge3  1  0.0  0.0  0.52  1.0

data_AlAg2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   9.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg2Ge
_chemical_formula_sum   'Al1 Ag2 Ge1'
_cell_volume   72.01
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.64  0.0  0.14  1.0
  Ag  Ag2  1  0.64  0.0  0.91  1.0
  Ge  Ge3  1  0.0  0.0  0.52  1.0

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