data_[Cu4Ni2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5560]
_cell_length_b [2.5281]
_cell_length_c [4.6021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cu2NiRu]
_chemical_formula_sum '[Cu4 Ni2 Ru2]'
_cell_volume [98.4471]
_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
[
  Cu  Cu0  2  0.2486  0.0000  0.7622  1
  Cu  Cu1  2  0.4998  0.5000  0.9835  1
  Ni  Ni2  2  0.4991  0.0000  0.4849  1
  Ru  Ru3  2  0.2526  0.5000  0.2694  1
]