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 [Cmm2]
_cell_length_a [2.8498]
_cell_length_b [4.5380]
_cell_length_c [8.2322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [BeAlRu2]
_chemical_formula_sum '[Be2 Al2 Ru4]'
_cell_volume [106.4638]
_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  0.0000  0.5000  0.2404  1
  Al  Al1  2  0.0000  0.0000  0.4931  1
  Ru  Ru2  2  0.0000  0.0000  0.0217  1
  Ru  Ru3  2  0.0000  0.5000  0.7448  1
]