data_[Al10Ru2]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3611]
_cell_length_b [3.0039]
_cell_length_c [14.0236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Al5Ru]
_chemical_formula_sum '[Al10 Ru2]'
_cell_volume [183.7141]
_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  2  0.0000  0.0000  0.3389  1
  Al  Al1  2  0.0000  0.0000  0.6641  1
  Al  Al2  2  0.0000  0.0000  0.9979  1
  Al  Al3  2  0.5000  0.0000  0.2302  1
  Al  Al4  2  0.5000  0.0000  0.5443  1
  Ru  Ru5  2  0.5000  0.0000  0.8914  1
]