data_CrMoRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   4.07
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   102.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrMoRu2
_chemical_formula_sum   'Cr1 Mo1 Ru2'
_cell_volume   56.22
_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
  Cr  Cr0  1  0.64  0.0  0.5  1.0
  Mo  Mo1  1  0.25  0.03  0.84  1.0
  Ru  Ru2  1  0.36  0.0  0.1  1.0
  Ru  Ru3  1  0.22  0.03  0.39  1.0

data_CrMoRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.07
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   102.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrMoRu2
_chemical_formula_sum   'Cr1 Mo1 Ru2'
_cell_volume   56.22
_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
  Cr  Cr0  1  0.64  0.0  0.5  1.0
  Mo  Mo1  1  0.25  0.03  0.84  1.0
  Ru  Ru2  1  0.22  0.03  0.39  1.0
  Ru  Ru3  1  0.36  0.0  0.1  1.0

Cr Mo Ru Ru
Cr Mo Ru Ru 0 3 o o o 1 2 o o + 2 3 o o o 