data_[Zn8Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.8305]
_cell_length_b [2.8210]
_cell_length_c [6.3423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zn2Ru]
_chemical_formula_sum '[Zn8 Ru4]'
_cell_volume [170.3113]
_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  2  0.1178  0.5000  0.7277  1.0
  Zn  Zn1  2  0.1630  0.5000  0.3306  1.0
  Zn  Zn2  2  0.2763  0.0000  0.0554  1.0
  Zn  Zn3  2  0.4421  0.5000  0.3891  1.0
  Ru  Ru4  2  0.3387  0.0000  0.6690  1.0
  Ru  Ru5  2  0.4955  0.5000  0.9947  1.0
]