data_Ag2GeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   2.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2GeRu
_chemical_formula_sum   'Ag2 Ge1 Ru1'
_cell_volume   66.9
_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  0.33  0.78  0.42  1.0
  Ag  Ag1  1  0.33  0.22  0.42  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.65  0.0  0.0  1.0

data_Ag2GeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   118.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2GeRu
_chemical_formula_sum   'Ag2 Ge1 Ru1'
_cell_volume   66.9
_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  0.42  0.33  0.22  1.0
  Ag  Ag1  1  0.42  0.33  0.78  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.65  0.0  1.0

Ag Ag Ge Ru