data_[Zn4Sn16Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.8486]
_cell_length_b [6.8486]
_cell_length_c [11.0537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [ZnSn4Ru]
_chemical_formula_sum '[Zn4 Sn16 Ru4]'
_cell_volume [518.4616]
_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  4  0.0000  0.0000  0.0000  1.0
  Sn  Sn1  16  0.1554  0.3446  0.3625  1.0
  Ru  Ru2  4  0.0000  0.0000  0.2500  1.0
]