data_[Cu8Ru8]
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 [Pnma]
_cell_length_a [7.7798]
_cell_length_b [4.0702]
_cell_length_c [6.9226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CuRu]
_chemical_formula_sum '[Cu8 Ru8]'
_cell_volume [219.2096]
_cell_formula_units_Z [8]
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  4  0.0857  0.7500  0.4547  1
  Cu  Cu1  4  0.1055  0.2500  0.2645  1
  Ru  Ru2  4  0.0796  0.2500  0.9067  1
  Ru  Ru3  4  0.2484  0.7500  0.1014  1
]