data_[Ta9V24Ir3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  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 [5.0217]
_cell_length_b [5.0217]
_cell_length_c [24.3010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ta3V8Ir]
_chemical_formula_sum '[Ta9 V24 Ir3]'
_cell_volume [530.7134]
_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
[
  Ta  Ta0  3  0.0000  0.0000  0.0002  1.0
  Ta  Ta1  3  0.0000  0.0000  0.3749  1.0
  Ta  Ta2  3  0.0000  0.0000  0.4996  1.0
  V  V3  9  0.1667  0.3334  0.2694  1.0
  V  V4  9  0.1669  0.3339  0.7722  1.0
  V  V5  3  0.0000  0.0000  0.1878  1.0
  V  V6  3  0.0000  0.0000  0.6864  1.0
  Ir  Ir7  3  0.0000  0.0000  0.8764  1.0
]