data_[Al1Si4Ru5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.9486]
_cell_length_b [2.9486]
_cell_length_c [14.8116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [AlSi4Ru5]
_chemical_formula_sum '[Al1 Si4 Ru5]'
_cell_volume [128.7756]
_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  1  0.0000  0.0000  0.0000  1.0
  Si  Si1  2  0.0000  0.0000  0.1977  1.0
  Si  Si2  2  0.0000  0.0000  0.3995  1.0
  Ru  Ru3  2  0.5000  0.5000  0.1070  1.0
  Ru  Ru4  2  0.5000  0.5000  0.3027  1.0
  Ru  Ru5  1  0.5000  0.5000  0.5000  1.0
]