data_Nb4Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   95.4
_cell_angle_beta   95.4
_cell_angle_gamma   144.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4Ir5
_chemical_formula_sum   'Nb4 Ir5'
_cell_volume   144.57
_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
  Nb  Nb5  1  0.7  0.0  0.0  1.0
  Nb  Nb6  1  0.89  0.0  0.0  1.0
  Nb  Nb7  1  0.0  0.7  0.0  1.0
  Nb  Nb8  1  0.0  0.89  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.88  0.88  0.0  1.0
  Ir  Ir2  1  0.41  0.41  0.96  1.0
  Ir  Ir3  1  0.41  0.59  0.96  1.0
  Ir  Ir4  1  0.59  0.41  0.96  1.0

data_Nb4Ir5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.92
_cell_length_b   12.15
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   107.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb4Ir5
_chemical_formula_sum   'Nb8 Ir10'
_cell_volume   289.14
_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
  Nb  Nb0  4  0.06  0.94  0.0  1.0
  Nb  Nb1  4  0.15  0.85  0.0  1.0
  Ir  Ir2  4  0.0  0.41  0.04  1.0
  Ir  Ir3  2  0.0  0.0  0.0  1.0
  Ir  Ir4  2  0.09  0.5  0.04  1.0
  Ir  Ir5  2  0.12  0.0  -0.0  1.0

Nb Nb Nb Nb Ir Ir Ir Ir Ir