data_ZnFeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   144.95
_cell_angle_beta   144.95
_cell_angle_gamma   50.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeIr
_chemical_formula_sum   'Zn1 Fe1 Ir1'
_cell_volume   40.61
_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  0.0  0.0  0.97  1.0
  Fe  Fe0  1  0.0  0.0  1.0  1.0
  Ir  Ir1  1  0.0  0.0  0.06  1.0

data_ZnFeIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   115.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnFeIr
_chemical_formula_sum   'Zn2 Fe2 Ir2'
_cell_volume   81.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.47  0.5  0.97  1.0
  Fe  Fe1  2  0.5  0.5  1.0  1.0
  Ir  Ir2  2  0.06  0.0  0.06  1.0

Zn Fe Ir