data_[Cu10Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7868]
_cell_length_b [2.5375]
_cell_length_c [6.1882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cu5Ru]
_chemical_formula_sum '[Cu10 Ru2]'
_cell_volume [148.4083]
_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
[
  Cu  Cu0  2  0.0545  0.0000  0.6085  1
  Cu  Cu1  2  0.1652  0.5000  0.3361  1
  Cu  Cu2  2  0.3354  0.0000  0.6605  1
  Cu  Cu3  2  0.3906  0.0000  0.2837  1
  Cu  Cu4  2  0.4986  0.5000  0.0004  1
  Ru  Ru5  2  0.2223  0.5000  0.9441  1
]