data_[Be2Al2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Al  1.6100  1.2500  0.6750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1423]
_cell_length_b [2.9200]
_cell_length_c [4.0517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9840]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeAlRu2]
_chemical_formula_sum '[Be2 Al2 Ru4]'
_cell_volume [100.9900]
_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
[
  Be  Be0  2  0.2416  0.5000  0.2198  1
  Al  Al1  2  0.4974  0.0000  0.5160  1
  Ru  Ru2  2  0.0066  0.0000  0.0313  1
  Ru  Ru3  2  0.2545  0.0000  0.7329  1
]