data_[Ir16Ru4W4]
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 [Cmcm]
_cell_length_a [5.4703]
_cell_length_b [14.7968]
_cell_length_c [4.5060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ir4RuW]
_chemical_formula_sum '[Ir16 Ru4 W4]'
_cell_volume [364.7329]
_cell_formula_units_Z [4]
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  8  0.2472  0.4607  0.7500  1
  Ir  Ir1  8  0.2497  0.3553  0.2500  1
  Ru  Ru2  4  0.0000  0.3042  0.7500  1
  W  W3  4  0.0000  0.1965  0.2500  1
]