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 [P-1]
_cell_length_a [4.4586]
_cell_length_b [4.5362]
_cell_length_c [4.9032]
_cell_angle_alpha [62.8322]
_cell_angle_beta [89.9813]
_cell_angle_gamma [60.6263]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CrNiRu]
_chemical_formula_sum '[Cr2 Ni2 Ru2]'
_cell_volume [73.6168]
_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  0.0825  0.6781  0.7318  1.0
  Ni  Ni1  2  0.4274  0.9961  0.7534  1.0
  Ru  Ru2  2  0.2410  0.6560  0.2430  1.0
]