data_[In6Ir6W9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.4903]
_cell_length_b [4.4903]
_cell_length_c [20.4035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [In2Ir2W3]
_chemical_formula_sum '[In6 Ir6 W9]'
_cell_volume [356.2821]
_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
[
  In  In0  3  0.0000  0.0000  0.2324  1
  In  In1  3  0.0000  0.0000  0.8061  1
  Ir  Ir2  3  0.0000  0.0000  0.5115  1
  Ir  Ir3  3  0.0000  0.0000  0.9576  1
  W  W4  3  0.0000  0.0000  0.0825  1
  W  W5  3  0.0000  0.0000  0.3742  1
  W  W6  3  0.0000  0.0000  0.6608  1
]