data_Ag2Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.91
_cell_length_b   11.91
_cell_length_c   11.91
_cell_angle_alpha   13.27
_cell_angle_beta   13.27
_cell_angle_gamma   13.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2Ru3
_chemical_formula_sum   'Ag2 Ru3'
_cell_volume   77.54
_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  0.22  1.0
  Ag  Ag1  1  0.0  0.0  0.2  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.91  1.0
  Ru  Ru4  1  0.0  0.0  0.51  1.0

data_Ag2Ru3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.77
_cell_length_b   2.75
_cell_length_c   11.91
_cell_angle_alpha   90.0
_cell_angle_beta   97.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag2Ru3
_chemical_formula_sum   'Ag4 Ru6'
_cell_volume   155.09
_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  0.78  1.0
  Ag  Ag1  2  -0.0  0.0  0.8  1.0
  Ru  Ru2  2  -0.0  0.0  0.49  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0
  Ru  Ru4  2  0.0  0.0  0.09  1.0

Ag Ag Ru Ru Ru
Ag Ag Ru Ru Ru 0 1 o o o 2 3 o o - 4 4 o + - 4 4 + - o 4 4 + o - 