data_Nb11Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.0
_cell_length_b   10.0
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb11Ir4
_chemical_formula_sum   'Nb22 Ir8'
_cell_volume   515.72
_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
  Nb  Nb8  1  0.0  0.0  0.58  1.0
  Nb  Nb9  1  0.0  0.0  0.0  1.0
  Nb  Nb10  1  0.96  0.04  0.58  1.0
  Nb  Nb11  1  0.04  0.96  0.58  1.0
  Nb  Nb12  1  0.96  0.96  0.0  1.0
  Nb  Nb13  1  0.04  0.04  0.0  1.0
  Nb  Nb14  1  0.28  0.35  0.58  1.0
  Nb  Nb15  1  0.72  0.65  0.58  1.0
  Nb  Nb16  1  0.65  0.28  0.0  1.0
  Nb  Nb17  1  0.35  0.72  0.0  1.0
  Nb  Nb18  1  0.72  0.35  0.0  1.0
  Nb  Nb19  1  0.28  0.65  0.0  1.0
  Nb  Nb20  1  0.35  0.28  0.58  1.0
  Nb  Nb21  1  0.65  0.72  0.58  1.0
  Nb  Nb22  1  0.16  0.16  0.85  1.0
  Nb  Nb23  1  0.84  0.84  0.85  1.0
  Nb  Nb24  1  0.84  0.16  0.27  1.0
  Nb  Nb25  1  0.16  0.84  0.27  1.0
  Nb  Nb26  1  0.84  0.16  0.88  1.0
  Nb  Nb27  1  0.16  0.84  0.88  1.0
  Nb  Nb28  1  0.16  0.16  0.31  1.0
  Nb  Nb29  1  0.84  0.84  0.31  1.0
  Ir  Ir0  1  0.66  0.62  0.58  1.0
  Ir  Ir1  1  0.34  0.38  0.58  1.0
  Ir  Ir2  1  0.38  0.66  0.0  1.0
  Ir  Ir3  1  0.62  0.34  0.0  1.0
  Ir  Ir4  1  0.34  0.62  0.0  1.0
  Ir  Ir5  1  0.66  0.38  0.0  1.0
  Ir  Ir6  1  0.62  0.66  0.58  1.0
  Ir  Ir7  1  0.38  0.34  0.58  1.0

data_Nb11Ir4
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   14.14
_cell_length_b   14.14
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   Nb11Ir4
_chemical_formula_sum   'Nb44 Ir16'
_cell_volume   1031.44
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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
  Nb  Nb0  8  0.04  0.19  0.58  1.0
  Nb  Nb1  8  0.19  0.04  0.0  1.0
  Nb  Nb2  4  0.0  0.34  0.31  1.0
  Nb  Nb3  4  0.0  0.34  0.85  1.0
  Nb  Nb4  4  0.0  0.46  0.0  1.0
  Nb  Nb5  4  0.04  0.5  0.58  1.0
  Nb  Nb6  4  0.16  0.5  0.27  1.0
  Nb  Nb7  4  0.16  0.5  0.88  1.0
  Nb  Nb8  2  0.0  0.5  0.0  1.0
  Nb  Nb9  2  0.0  0.5  0.58  1.0
  Ir  Ir10  8  0.02  0.14  0.58  1.0
  Ir  Ir11  8  0.14  0.02  0.0  1.0

Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Ir Ir Ir Ir Ir Ir Ir Ir