data_AlAg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   131.94
_cell_angle_beta   131.94
_cell_angle_gamma   70.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg2Ge
_chemical_formula_sum   'Al1 Ag2 Ge1'
_cell_volume   70.68
_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  0.0  0.0  0.14  1.0
  Ag  Ag1  1  0.0  0.06  0.07  1.0
  Ge  Ge3  1  0.06  0.0  0.07  1.0

data_AlAg2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   5.07
_cell_angle_alpha   114.03
_cell_angle_beta   114.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg2Ge
_chemical_formula_sum   'Al1 Ag2 Ge1'
_cell_volume   70.68
_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  0.86  0.0  0.86  1.0
  Ag  Ag2  1  0.99  0.06  0.99  1.0
  Ge  Ge3  1  0.93  0.0  0.99  1.0

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