data_[Hf4Zr12Ag4]
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 [C2/m]
_cell_length_a [14.8827]
_cell_length_b [3.0751]
_cell_length_c [10.2058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfZr3Ag]
_chemical_formula_sum '[Hf4 Zr12 Ag4]'
_cell_volume [441.4505]
_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  0.0349  0.0000  0.1454  1
  Zr  Zr1  4  0.0552  0.0000  0.6484  1
  Zr  Zr2  4  0.1452  0.5000  0.4222  1
  Zr  Zr3  4  0.1555  0.5000  0.9827  1
  Ag  Ag4  4  0.2459  0.5000  0.7433  1
]