data_[Ta6Nb8Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.7824]
_cell_length_b [9.6543]
_cell_length_c [10.8277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ta3Nb4Ir]
_chemical_formula_sum '[Ta6 Nb8 Ir2]'
_cell_volume [290.8537]
_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
[
  Ta  Ta0  4  0.0000  0.0000  0.2361  1
  Ta  Ta1  2  0.0000  0.5000  0.0000  1
  Nb  Nb2  8  0.0000  0.2461  0.3746  1
  Ir  Ir3  2  0.0000  0.5000  0.5000  1
]