data_Zn5Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55
_cell_length_b   7.55
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn5Ir4
_chemical_formula_sum   'Zn10 Ir8'
_cell_volume   258.27
_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  Zn8  1  0.36  0.0  0.92  1.0
  Zn  Zn9  1  0.82  0.04  0.92  1.0
  Zn  Zn10  1  0.6  0.5  0.92  1.0
  Zn  Zn11  1  0.19  0.0  0.31  1.0
  Zn  Zn12  1  0.4  0.5  0.31  1.0
  Zn  Zn13  1  0.18  0.04  0.31  1.0
  Zn  Zn14  1  0.0  0.36  0.62  1.0
  Zn  Zn15  1  0.77  0.18  0.0  1.0
  Zn  Zn16  1  0.77  0.18  0.62  1.0
  Zn  Zn17  1  0.0  0.36  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.62  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.88  0.0  0.92  1.0
  Ir  Ir3  1  0.56  0.23  0.92  1.0
  Ir  Ir4  1  0.33  0.31  0.92  1.0
  Ir  Ir5  1  0.67  0.0  0.31  1.0
  Ir  Ir6  1  0.67  0.31  0.31  1.0
  Ir  Ir7  1  0.44  0.23  0.31  1.0

data_Zn5Ir4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.23
_cell_length_b   7.55
_cell_length_c   7.55
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn5Ir4
_chemical_formula_sum   'Zn10 Ir8'
_cell_volume   258.27
_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  0.77  0.18  1.0
  Zn  Zn1  1  0.0  0.0  0.36  1.0
  Zn  Zn2  1  0.31  0.18  0.04  1.0
  Zn  Zn3  1  0.31  0.19  0.0  1.0
  Zn  Zn4  1  0.31  0.4  0.5  1.0
  Zn  Zn5  1  0.62  0.0  0.36  1.0
  Zn  Zn6  1  0.62  0.77  0.18  1.0
  Zn  Zn7  1  0.92  0.36  0.0  1.0
  Zn  Zn8  1  0.92  0.6  0.5  1.0
  Zn  Zn9  1  0.92  0.82  0.04  1.0
  Ir  Ir10  1  0.0  0.0  0.0  1.0
  Ir  Ir11  1  0.31  0.44  0.23  1.0
  Ir  Ir12  1  0.31  0.67  0.31  1.0
  Ir  Ir13  1  0.31  0.67  0.0  1.0
  Ir  Ir14  1  0.62  0.0  0.0  1.0
  Ir  Ir15  1  0.92  0.33  0.31  1.0
  Ir  Ir16  1  0.92  0.56  0.23  1.0
  Ir  Ir17  1  0.92  0.88  0.0  1.0

Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Ir Ir Ir Ir Ir Ir Ir Ir
Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Ir Ir Ir Ir Ir Ir Ir Ir 0 13 o o o 1 12 o o o 1 7 o o + 1 10 + o o 1 15 o o + 2 14 o o o 2 13 o o o 2 4 o o + 3 5 o o o 3 10 o o o 3 17 o o o 4 14 o o - 4 17 o o o 5 10 o o o 5 17 o o o 6 8 - o o 7 9 + o o 7 13 o o - 7 15 o o o 8 15 o o o 10 12 - o o 10 11 o o + 11 12 - o - 13 14 o o o 15 16 o o o 16 17 o o o 