data_[Al2Ru2W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ru  2.2000  1.3000  0.6610
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.0127]
_cell_length_b [3.0785]
_cell_length_c [9.5085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0811]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [AlRuW]
_chemical_formula_sum '[Al2 Ru2 W2]'
_cell_volume [88.1294]
_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
[
  Al  Al0  1  0.4817  0.0000  0.0561  1
  Al  Al1  1  0.5096  0.0000  0.3565  1
  Ru  Ru2  1  0.0253  0.5000  0.5222  1
  Ru  Ru3  1  0.9916  0.5000  0.2042  1
  W  W4  1  0.5698  0.0000  0.6885  1
  W  W5  1  0.9811  0.5000  0.8710  1
]