data_Ag3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.1
_cell_angle_alpha   98.36
_cell_angle_beta   98.36
_cell_angle_gamma   31.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3Ru
_chemical_formula_sum   'Ag3 Ru1'
_cell_volume   66.98
_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  0.88  0.0  0.81  1.0
  Ag  Ag1  1  0.06  0.0  0.24  1.0
  Ag  Ag2  1  0.47  0.0  0.52  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_Ag3Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   5.04
_cell_length_c   5.1
_cell_angle_alpha   98.36
_cell_angle_beta   90.0
_cell_angle_gamma   105.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3Ru
_chemical_formula_sum   'Ag3 Ru1'
_cell_volume   66.98
_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  0.12  0.19  1.0
  Ag  Ag1  1  0.0  0.53  0.48  1.0
  Ag  Ag2  1  0.0  0.94  0.76  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

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