data_ZnGa2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGa2Ru
_chemical_formula_sum   'Zn1 Ga2 Ru1'
_cell_volume   64.31
_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  0.0  0.0  0.36  1.0
  Ga  Ga0  1  0.56  0.0  0.01  1.0
  Ga  Ga1  1  0.0  0.0  0.34  1.0
  Ru  Ru2  1  0.56  0.0  0.38  1.0

data_ZnGa2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGa2Ru
_chemical_formula_sum   'Zn1 Ga2 Ru1'
_cell_volume   64.31
_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  0.0  0.36  1.0
  Ga  Ga1  1  0.0  0.0  0.34  1.0
  Ga  Ga2  1  0.56  0.0  0.01  1.0
  Ru  Ru3  1  0.56  0.0  0.38  1.0

Zn Ga Ga Ru
Zn Ga Ga Ru 0 2 o o o 0 1 o o o 0 1 - o o 0 3 - o o 1 1 + + o 1 1 o + o 1 1 + o o 1 2 o o o 1 2 + o o 1 3 o o o 2 3 - o o 