data_[Hf4Zn4W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zn  1.6500  1.3500  0.8800
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3086]
_cell_length_b [4.7200]
_cell_length_c [5.9419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.5695]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfZnW]
_chemical_formula_sum '[Hf4 Zn4 W4]'
_cell_volume [209.6727]
_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
[
  Hf  Hf0  4  0.0124  0.0000  0.7626  1
  Zn  Zn1  4  0.1632  0.5000  0.6982  1
  W  W2  4  0.1584  0.5000  0.2194  1
]