data_ZnGaRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   4.14
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   97.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGaRu2
_chemical_formula_sum   'Zn1 Ga1 Ru2'
_cell_volume   57.69
_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  0.0  1.0
  Ga  Ga0  1  0.08  0.0  0.51  1.0
  Ru  Ru1  1  0.35  0.07  0.73  1.0
  Ru  Ru2  1  0.81  0.07  0.28  1.0

data_ZnGaRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.14
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   97.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGaRu2
_chemical_formula_sum   'Zn1 Ga1 Ru2'
_cell_volume   57.69
_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  0.0  1.0
  Ga  Ga1  1  0.08  0.0  0.51  1.0
  Ru  Ru2  1  0.35  0.07  0.73  1.0
  Ru  Ru3  1  0.81  0.07  0.28  1.0

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