data_[Al2Si2Ru2]
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 [P-1]
_cell_length_a [4.5111]
_cell_length_b [4.5301]
_cell_length_c [4.5903]
_cell_angle_alpha [94.3108]
_cell_angle_beta [94.5843]
_cell_angle_gamma [119.3787]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AlSiRu]
_chemical_formula_sum '[Al2 Si2 Ru2]'
_cell_volume [80.7718]
_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  0.1137  0.9440  0.2603  1.0
  Si  Si1  2  0.4314  0.6144  0.2585  1.0
  Ru  Ru2  2  0.2227  0.7160  0.7736  1.0
]