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 [C2]
_cell_length_a [4.4941]
_cell_length_b [7.7331]
_cell_length_c [4.5379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CrNiRu]
_chemical_formula_sum '[Cr4 Ni4 Ru4]'
_cell_volume [147.8252]
_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  2  0.0000  0.1483  0.5000  1
  Cr  Cr1  2  0.0000  0.4802  0.5000  1
  Ni  Ni2  2  0.0000  0.3162  0.0000  1
  Ni  Ni3  2  0.0000  0.9876  0.0000  1
  Ru  Ru4  2  0.0000  0.6481  0.0000  1
  Ru  Ru5  2  0.0000  0.8216  0.5000  1
]