data_[Y8Zn8Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5273]
_cell_length_b [3.9426]
_cell_length_c [11.0573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Zn2Ru]
_chemical_formula_sum '[Y8 Zn8 Ru4]'
_cell_volume [427.5919]
_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
[
  Y  Y0  4  0.0021  0.5000  0.3351  1.0
  Y  Y1  4  0.1970  0.5000  0.1282  1.0
  Zn  Zn2  4  0.0247  0.0000  0.8924  1.0
  Zn  Zn3  4  0.1688  0.0000  0.5490  1.0
  Ru  Ru4  4  0.1975  0.0000  0.3136  1.0
]