data_[Hf2Zn1Ag3]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.4181]
_cell_length_b [3.4181]
_cell_length_c [9.4496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Hf2ZnAg3]
_chemical_formula_sum '[Hf2 Zn1 Ag3]'
_cell_volume [110.4006]
_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  1  0.0000  0.0000  0.9966  1
  Hf  Hf1  1  0.5000  0.5000  0.4973  1
  Zn  Zn2  1  0.5000  0.5000  0.8304  1
  Ag  Ag3  1  0.0000  0.0000  0.3255  1
  Ag  Ag4  1  0.0000  0.0000  0.6801  1
  Ag  Ag5  1  0.5000  0.5000  0.1702  1
]