data_ZrIrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   147.66
_cell_angle_beta   135.19
_cell_angle_gamma   56.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIrRu
_chemical_formula_sum   'Zr1 Ir1 Ru1'
_cell_volume   50.35
_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
  Zr  Zr2  1  0.0  0.0  0.01  1.0
  Ir  Ir0  1  0.0  0.0  0.19  1.0
  Ru  Ru1  1  0.0  0.0  0.84  1.0

data_ZrIrRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   3.91
_cell_length_c   5.12
_cell_angle_alpha   112.41
_cell_angle_beta   106.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIrRu
_chemical_formula_sum   'Zr1 Ir1 Ru1'
_cell_volume   50.35
_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
  Zr  Zr0  1  0.0  0.01  0.01  1.0
  Ir  Ir1  1  0.0  0.19  0.19  1.0
  Ru  Ru2  1  0.0  0.84  0.84  1.0

Zr Ir Ru