data_Co2NiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   4.41
_cell_angle_alpha   131.69
_cell_angle_beta   131.69
_cell_angle_gamma   70.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2NiRu
_chemical_formula_sum   'Co2 Ni1 Ru1'
_cell_volume   46.95
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.81  0.0  0.8  1.0
  Ni  Ni2  1  0.0  0.0  0.6  1.0
  Ru  Ru3  1  0.0  0.81  0.8  1.0

data_Co2NiRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   4.41
_cell_angle_alpha   114.15
_cell_angle_beta   114.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2NiRu
_chemical_formula_sum   'Co2 Ni1 Ru1'
_cell_volume   46.95
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.2  0.0  0.01  1.0
  Ni  Ni2  1  0.4  0.0  0.4  1.0
  Ru  Ru3  1  0.01  0.81  0.01  1.0

Co Co Ni Ru
Co Co Ni Ru 0 1 - o - 0 3 o - - 0 2 o o - 1 2 + o o 2 3 o - o 