data_[Cr6Ru6]
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 [Amm2]
_cell_length_a [2.7529]
_cell_length_b [12.7001]
_cell_length_c [4.4437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CrRu]
_chemical_formula_sum '[Cr6 Ru6]'
_cell_volume [155.3644]
_cell_formula_units_Z [6]
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  0.5000  0.1543  0.6877  1
  Cr  Cr1  2  0.5000  0.0000  0.3494  1
  Ru  Ru2  4  0.0000  0.1751  0.2139  1
  Ru  Ru3  2  0.0000  0.0000  0.8494  1
]