data_[Hf4Ag4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.2503]
_cell_length_b [6.9008]
_cell_length_c [10.1778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9944]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HfAgBr5]
_chemical_formula_sum '[Hf4 Ag4 Br20]'
_cell_volume [1012.7939]
_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  0.0000  0.0000  0.0000  1
  Ag  Ag1  4  0.0000  0.4221  0.2500  1
  Br  Br2  8  0.1134  0.2767  0.4870  1
  Br  Br3  8  0.1411  0.2062  0.1263  1
  Br  Br4  4  0.0000  0.1648  0.7500  1
]