data_[Cr2Ni2Ru2]
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 [Pm]
_cell_length_a [4.4683]
_cell_length_b [2.6346]
_cell_length_c [6.4169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3816]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CrNiRu]
_chemical_formula_sum '[Cr2 Ni2 Ru2]'
_cell_volume [73.4903]
_cell_formula_units_Z [2]
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  1  0.1877  0.5000  0.8181  1.0
  Cr  Cr1  1  0.7054  0.0000  0.8170  1.0
  Ni  Ni2  1  0.7570  0.5000  0.4901  1.0
  Ni  Ni3  1  0.9728  0.5000  0.1493  1.0
  Ru  Ru4  1  0.2580  0.0000  0.5037  1.0
  Ru  Ru5  1  0.4740  0.0000  0.1356  1.0
]