data_[Cr4Ni4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [7.8202]
_cell_length_b [4.4815]
_cell_length_c [4.9714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6821]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [CrNiRu]
_chemical_formula_sum '[Cr4 Ni4 Ru4]'
_cell_volume [146.6456]
_cell_formula_units_Z [4]
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  0.4260  0.0694  0.9229  1
  Ni  Ni1  4  0.2593  0.4183  0.4362  1
  Ru  Ru2  4  0.0942  0.0869  0.9410  1
]