data_Ag2MoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   7.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2MoRu
_chemical_formula_sum   'Ag2 Mo1 Ru1'
_cell_volume   67.16
_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  0.81  1.0
  Ag  Ag1  1  0.46  0.46  0.01  1.0
  Mo  Mo2  1  0.0  0.0  0.19  1.0
  Ru  Ru3  1  0.46  0.46  0.69  1.0

data_Ag2MoRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   7.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag2MoRu
_chemical_formula_sum   'Ag4 Mo2 Ru2'
_cell_volume   134.31
_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  0.81  1.0
  Ag  Ag1  2  0.46  0.0  0.01  1.0
  Mo  Mo2  2  0.0  0.0  0.19  1.0
  Ru  Ru3  2  0.46  0.0  0.69  1.0

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