data_ZnNiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   4.41
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   95.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiRu2
_chemical_formula_sum   'Zn1 Ni1 Ru2'
_cell_volume   54.04
_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  Zn3  1  0.11  0.0  0.33  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.94  0.2  0.13  1.0
  Ru  Ru2  1  0.27  0.2  0.53  1.0

data_ZnNiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.41
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   95.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiRu2
_chemical_formula_sum   'Zn1 Ni1 Ru2'
_cell_volume   54.04
_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  0.11  0.0  0.33  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.27  0.2  0.53  1.0
  Ru  Ru3  1  0.94  0.2  0.13  1.0

Zn Ni Ru Ru
Zn Ni Ru Ru 0 1 o o o 0 2 - o o 0 3 o o o 1 2 - o o 