data_[Zn4Ru2W2]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8381]
_cell_length_b [2.8065]
_cell_length_c [4.7850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zn2RuW]
_chemical_formula_sum '[Zn4 Ru2 W2]'
_cell_volume [117.4276]
_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
[
  Zn  Zn0  2  0.2465  0.0000  0.7686  1
  Zn  Zn1  2  0.4995  0.5000  0.9790  1
  Ru  Ru2  2  0.0024  0.5000  0.4791  1
  W  W3  2  0.2515  0.5000  0.2733  1
]