data_[Cr8Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.0712]
_cell_length_b [5.1280]
_cell_length_c [8.0598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [CrRu]
_chemical_formula_sum '[Cr8 Ru8]'
_cell_volume [209.5983]
_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
[
  Cr  Cr0  4  0.0606  0.6100  0.7453  1
  Cr  Cr1  4  0.1965  0.2092  0.5174  1
  Ru  Ru2  4  0.0592  0.0244  0.2507  1
  Ru  Ru3  4  0.2023  0.3121  0.9783  1
]