data_ZnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.7
_cell_length_b   8.7
_cell_length_c   8.7
_cell_angle_alpha   156.9
_cell_angle_beta   156.9
_cell_angle_gamma   32.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIr2
_chemical_formula_sum   'Zn2 Ir4'
_cell_volume   101.22
_cell_formula_units_Z   2
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  Zn4  1  0.0  0.0  0.0  1.0
  Zn  Zn5  1  0.0  0.74  0.17  1.0
  Ir  Ir0  1  0.74  0.0  0.96  1.0
  Ir  Ir1  1  0.74  0.0  0.38  1.0
  Ir  Ir2  1  0.0  0.0  0.13  1.0
  Ir  Ir3  1  0.0  0.0  0.56  1.0

data_ZnIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   8.7
_cell_angle_alpha   101.55
_cell_angle_beta   101.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIr2
_chemical_formula_sum   'Zn2 Ir4'
_cell_volume   101.22
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  Zn  Zn1  1  0.43  0.17  0.43  1.0
  Ir  Ir2  1  0.13  0.13  0.13  1.0
  Ir  Ir3  1  0.38  0.64  0.64  1.0
  Ir  Ir4  1  0.56  0.56  0.56  1.0
  Ir  Ir5  1  0.96  0.22  0.22  1.0

Zn Zn Ir Ir Ir Ir