data_ZnFeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   148.3
_cell_angle_beta   126.3
_cell_angle_gamma   63.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeIr2
_chemical_formula_sum   'Zn1 Fe1 Ir2'
_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  0.0  0.0  0.36  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.32  0.21  1.0
  Ir  Ir2  1  0.4  0.0  0.15  1.0

data_ZnFeIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.63
_cell_length_c   5.13
_cell_angle_alpha   116.85
_cell_angle_beta   105.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeIr2
_chemical_formula_sum   'Zn1 Fe1 Ir2'
_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  0.64  0.64  0.64  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.25  0.85  0.25  1.0
  Ir  Ir3  1  0.79  0.11  0.11  1.0

Zn Fe Ir Ir