data_[Ir2Ru2W4]
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 [9.1683]
_cell_length_b [2.8031]
_cell_length_c [4.8080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [IrRuW2]
_chemical_formula_sum '[Ir2 Ru2 W4]'
_cell_volume [121.8127]
_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
[
  Ru  Ru0  2  0.2518  0.5000  0.2325  1
  Ir  Ir1  2  0.4983  0.0000  0.5168  1
  W  W2  2  0.0055  0.0000  0.0242  1
  W  W3  2  0.2443  0.0000  0.7265  1
]