data_[Ta2V4Ir10]
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 [Pbam]
_cell_length_a [5.5058]
_cell_length_b [11.0149]
_cell_length_c [3.8765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [TaV2Ir5]
_chemical_formula_sum '[Ta2 V4 Ir10]'
_cell_volume [235.0921]
_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  2  0.0000  0.5000  0.0000  1
  V  V1  4  0.2201  0.8649  0.5000  1
  Ir  Ir2  4  0.0114  0.2497  0.0000  1
  Ir  Ir3  4  0.2440  0.6260  0.5000  1
  Ir  Ir4  2  0.0000  0.0000  0.0000  1
]