data_AgGeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   146.74
_cell_angle_beta   146.74
_cell_angle_gamma   47.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgGeRu
_chemical_formula_sum   'Ag1 Ge1 Ru1'
_cell_volume   48.71
_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  0.0  0.96  1.0
  Ge  Ge1  1  0.0  0.0  0.07  1.0
  Ru  Ru2  1  0.0  0.0  0.94  1.0

data_AgGeRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   113.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgGeRu
_chemical_formula_sum   'Ag2 Ge2 Ru2'
_cell_volume   97.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.04  1.0
  Ge  Ge1  2  0.0  0.0  0.93  1.0
  Ru  Ru2  2  0.0  0.0  0.06  1.0

Ag Ge Ru
Ag Ge Ru 0 2 o o o 0 1 o o + 1 2 o o - 