data_[Al13Ru2]
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 [P-1]
_cell_length_a [5.0766]
_cell_length_b [6.4456]
_cell_length_c [8.1263]
_cell_angle_alpha [110.1745]
_cell_angle_beta [92.8135]
_cell_angle_gamma [98.2221]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Al13Ru2]
_chemical_formula_sum '[Al13 Ru2]'
_cell_volume [245.6405]
_cell_formula_units_Z [1]
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  0.0269  0.4651  0.6520  1
  Al  Al1  2  0.2448  0.9789  0.5723  1
  Al  Al2  2  0.2592  0.3766  0.9240  1
  Al  Al3  2  0.2739  0.8018  0.1877  1
  Al  Al4  2  0.4353  0.8095  0.8532  1
  Al  Al5  2  0.4819  0.5878  0.3754  1
  Al  Al6  1  0.0000  0.0000  0.0000  1
  Ru  Ru7  2  0.1947  0.2002  0.3509  1
]