data_ZnCuRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   2.69
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuRu
_chemical_formula_sum   'Zn1 Cu1 Ru1'
_cell_volume   40.15
_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
  Zn  Zn2  1  0.0  0.55  0.3  1.0
  Cu  Cu0  1  0.0  0.0  0.4  1.0
  Ru  Ru1  1  0.34  0.78  0.13  1.0

data_ZnCuRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   2.69
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuRu
_chemical_formula_sum   'Zn1 Cu1 Ru1'
_cell_volume   40.15
_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
  Zn  Zn0  1  0.0  0.55  0.3  1.0
  Cu  Cu1  1  0.0  0.0  0.4  1.0
  Ru  Ru2  1  0.34  0.78  0.13  1.0

Zn Cu Ru
Zn Cu Ru 0 1 o + o 0 1 o o o 0 2 o o o 