data_AlAgRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   147.3
_cell_angle_beta   147.3
_cell_angle_gamma   46.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAgRu
_chemical_formula_sum   'Al1 Ag1 Ru1'
_cell_volume   46.2
_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  Al1  1  0.0  0.0  0.14  1.0
  Ag  Ag0  1  0.0  0.0  0.89  1.0
  Ru  Ru2  1  0.0  0.0  0.84  1.0

data_AlAgRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   113.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlAgRu
_chemical_formula_sum   'Al2 Ag2 Ru2'
_cell_volume   92.4
_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
  Al  Al0  2  0.14  0.0  0.14  1.0
  Ag  Ag1  2  0.39  0.5  0.89  1.0
  Ru  Ru2  2  0.34  0.5  0.84  1.0

Al Ag Ru