data_[Zn8Cu4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [3.6706]
_cell_length_b [3.6706]
_cell_length_c [17.6479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [Zn2CuRu]
_chemical_formula_sum '[Zn8 Cu4 Ru4]'
_cell_volume [237.7776]
_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
[
  Zn  Zn0  8  0.2490  0.2500  0.1250  1
  Cu  Cu1  4  0.0000  0.0000  0.5000  1
  Ru  Ru2  4  0.0000  0.0000  0.0000  1
]