data_ZnIrRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.7
_cell_angle_alpha   99.27
_cell_angle_beta   99.27
_cell_angle_gamma   33.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIrRu2
_chemical_formula_sum   'Zn1 Ir1 Ru2'
_cell_volume   56.6
_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  0.08  0.0  0.27  1.0
  Ir  Ir0  1  0.47  0.0  0.21  1.0
  Ru  Ru1  1  0.23  0.0  0.56  1.0
  Ru  Ru2  1  0.68  0.0  0.53  1.0

data_ZnIrRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.68
_cell_length_c   4.7
_cell_angle_alpha   99.27
_cell_angle_beta   90.0
_cell_angle_gamma   106.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIrRu2
_chemical_formula_sum   'Zn1 Ir1 Ru2'
_cell_volume   56.6
_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  0.92  0.73  1.0
  Ru  Ru1  1  0.0  0.32  0.47  1.0
  Ir  Ir2  1  0.0  0.53  0.79  1.0
  Ru  Ru3  1  0.0  0.77  0.44  1.0

Zn Ir Ru Ru
Zn Ir Ru Ru 0 2 o o o 0 1 o o o 1 3 o o o 