data_ZnNiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   2.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiRu
_chemical_formula_sum   'Zn1 Ni1 Ru1'
_cell_volume   38.67
_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  0.41  0.99  1.0
  Ni  Ni0  1  0.0  0.0  0.27  1.0
  Ru  Ru1  1  0.09  0.21  0.85  1.0

data_ZnNiRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   4.18
_cell_length_c   4.18
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiRu
_chemical_formula_sum   'Zn1 Ni1 Ru1'
_cell_volume   38.67
_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  0.99  -0.0  0.41  1.0
  Ni  Ni1  1  0.27  0.0  0.0  1.0
  Ru  Ru2  1  0.85  0.09  0.21  1.0

Zn Ni Ru
Zn Ni Ru 0 2 o o o 1 2 o o - 