data_[Al2Cu2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8493]
_cell_length_b [2.8095]
_cell_length_c [4.4591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AlCuRu2]
_chemical_formula_sum '[Al2 Cu2 Ru4]'
_cell_volume [108.5956]
_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  0.4991  0.0000  0.5161  1
  Cu  Cu1  2  0.2493  0.0000  0.7370  1
  Ru  Ru2  2  0.0023  0.0000  0.0141  1
  Ru  Ru3  2  0.2493  0.5000  0.2328  1
]