data_[Hf2Al2Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.2484]
_cell_length_b [4.3131]
_cell_length_c [8.0305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [HfAlAg]
_chemical_formula_sum '[Hf2 Al2 Ag2]'
_cell_volume [112.5147]
_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
[
  Hf  Hf0  1  0.0000  0.5000  0.9409  1
  Hf  Hf1  1  0.5000  0.0000  0.1589  1
  Al  Al2  1  0.0000  0.5000  0.2936  1
  Al  Al3  1  0.5000  0.5000  0.5904  1
  Ag  Ag4  1  0.0000  0.0000  0.4911  1
  Ag  Ag5  1  0.5000  0.0000  0.7902  1
]