data_CrOsRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   148.86
_cell_angle_beta   130.55
_cell_angle_gamma   59.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrOsRu2
_chemical_formula_sum   'Cr1 Os1 Ru2'
_cell_volume   55.08
_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  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.52  1.0
  Ru  Ru2  1  0.0  0.18  0.52  1.0
  Ru  Ru3  1  0.4  0.0  0.0  1.0

data_CrOsRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.36
_cell_length_c   5.21
_cell_angle_alpha   114.73
_cell_angle_beta   105.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrOsRu2
_chemical_formula_sum   'Cr1 Os1 Ru2'
_cell_volume   55.08
_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  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.61  1.0
  Os  Os2  1  0.0  0.52  0.52  1.0
  Ru  Ru3  1  0.82  0.34  0.34  1.0

Cr Os Ru Ru
Cr Os Ru Ru 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o + 2 3 - o o 