data_[Nb9V24Ir3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0326]
_cell_length_b [5.0326]
_cell_length_c [24.3713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Nb3V8Ir]
_chemical_formula_sum '[Nb9 V24 Ir3]'
_cell_volume [534.5624]
_cell_formula_units_Z [3]
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  Nb0  3  0.0000  0.0000  0.0000  1.0
  Nb  Nb1  3  0.0000  0.0000  0.3748  1.0
  Nb  Nb2  3  0.0000  0.0000  0.4999  1.0
  V  V3  9  0.0003  0.5001  0.4390  1.0
  V  V4  9  0.1668  0.8332  0.2691  1.0
  V  V5  3  0.0000  0.0000  0.1878  1.0
  V  V6  3  0.0000  0.0000  0.6865  1.0
  Ir  Ir7  3  0.0000  0.0000  0.8765  1.0
]