data_[Y4Hf4Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.2508]
_cell_length_b [7.2508]
_cell_length_c [4.9767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Y2Hf2Ag]
_chemical_formula_sum '[Y4 Hf4 Ag2]'
_cell_volume [261.6458]
_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
[
  Y  Y0  4  0.1607  0.6607  0.5000  1
  Hf  Hf1  4  0.1401  0.3599  0.0000  1
  Ag  Ag2  2  0.0000  0.0000  0.0000  1
]