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 [Cm]
_cell_length_a [8.0289]
_cell_length_b [3.6889]
_cell_length_c [2.5812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2749]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CrNiRu]
_chemical_formula_sum '[Cr2 Ni2 Ru2]'
_cell_volume [73.3873]
_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  2  0.3562  0.5000  0.0137  1.0
  Ni  Ni1  2  0.1902  0.0000  0.3690  1.0
  Ru  Ru2  2  0.0216  0.5000  0.7312  1.0
]