data_[Hf6Zr2Ag1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.1861]
_cell_length_b [3.1861]
_cell_length_c [22.9545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Hf6Zr2Ag]
_chemical_formula_sum '[Hf6 Zr2 Ag1]'
_cell_volume [201.7984]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2117  1
  Hf  Hf1  2  0.0000  0.0000  0.4355  1
  Hf  Hf2  2  0.3333  0.6667  0.8940  1
  Zr  Zr3  2  0.3333  0.6667  0.3283  1
  Ag  Ag4  1  0.0000  0.0000  0.0000  1
]