data_ZnIr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   4.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIr5
_chemical_formula_sum   'Zn1 Ir5'
_cell_volume   100.91
_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  Zn5  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.27  0.2  0.25  1.0
  Ir  Ir1  1  0.55  0.47  0.0  1.0
  Ir  Ir2  1  0.73  0.2  0.25  1.0
  Ir  Ir3  1  0.55  0.0  0.25  1.0
  Ir  Ir4  1  0.0  0.94  0.0  1.0

data_ZnIr5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIr5
_chemical_formula_sum   'Zn1 Ir5'
_cell_volume   100.91
_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  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.94  1.0
  Ir  Ir2  1  0.0  0.55  0.47  1.0
  Ir  Ir3  1  0.25  0.27  0.2  1.0
  Ir  Ir4  1  0.25  0.55  0.0  1.0
  Ir  Ir5  1  0.25  0.73  0.2  1.0

Zn Ir Ir Ir Ir Ir
Zn Ir Ir Ir Ir Ir 0 5 o - o 0 1 o o o 1 5 o - o 1 2 o o o 3 4 o o o 