data_Zn2IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.84
_cell_angle_alpha   100.09
_cell_angle_beta   100.09
_cell_angle_gamma   35.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2IrRu
_chemical_formula_sum   'Zn2 Ir1 Ru1'
_cell_volume   56.76
_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  0.25  0.0  0.19  1.0
  Zn  Zn3  1  0.49  0.0  0.57  1.0
  Ir  Ir0  1  0.87  0.0  0.38  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_Zn2IrRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.53
_cell_length_c   4.84
_cell_angle_alpha   100.09
_cell_angle_beta   90.0
_cell_angle_gamma   107.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2IrRu
_chemical_formula_sum   'Zn2 Ir1 Ru1'
_cell_volume   56.76
_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  0.51  0.43  1.0
  Zn  Zn1  1  0.0  0.75  0.81  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.13  0.62  1.0

Zn Zn Ir Ru