data_[Co21Ru18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6184]
_cell_length_b [4.6184]
_cell_length_c [25.1523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Co7Ru6]
_chemical_formula_sum '[Co21 Ru18]'
_cell_volume [464.6175]
_cell_formula_units_Z [3]
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
[
  Co  Co0  18  0.0018  0.5009  0.4101  1
  Co  Co1  3  0.0000  0.0000  0.0000  1
  Ru  Ru2  6  0.0000  0.0000  0.1665  1
  Ru  Ru3  6  0.0000  0.0000  0.3466  1
  Ru  Ru4  6  0.0000  0.0000  0.4521  1
]