data_[Ir2Ru3W3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.8720]
_cell_length_b [3.9145]
_cell_length_c [7.8491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Ir2(RuW)3]
_chemical_formula_sum '[Ir2 Ru3 W3]'
_cell_volume [118.9684]
_cell_formula_units_Z [1]
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
[
  Ir  Ir0  2  0.0000  0.0000  0.2529  1.0
  Ru  Ru1  1  0.0000  0.5000  0.0000  1.0
  Ru  Ru2  1  0.0000  0.5000  0.5000  1.0
  Ru  Ru3  1  0.5000  0.0000  0.5000  1.0
  W  W4  2  0.5000  0.5000  0.2557  1.0
  W  W5  1  0.5000  0.0000  0.0000  1.0
]