data_[Ir2Ru4W2]
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 [Cm]
_cell_length_a [9.1117]
_cell_length_b [2.7504]
_cell_length_c [4.7394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [IrRu2W]
_chemical_formula_sum '[Ir2 Ru4 W2]'
_cell_volume [116.8209]
_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
[
  Ir  Ir0  2  0.2506  0.5000  0.2514  1
  Ru  Ru1  2  0.2510  0.0000  0.7574  1
  Ru  Ru2  2  0.4988  0.5000  0.9925  1
  W  W3  2  0.4997  0.0000  0.4988  1
]