data_[Cs1Hf1Ag2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P-1]
_cell_length_a [6.1807]
_cell_length_b [7.1383]
_cell_length_c [9.7410]
_cell_angle_alpha [85.8281]
_cell_angle_beta [75.0977]
_cell_angle_gamma [85.0596]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsHf(AgBr4)2]
_chemical_formula_sum '[Cs1 Hf1 Ag2 Br8]'
_cell_volume [413.2029]
_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
[
  Cs  Cs0  1  0.5000  0.0000  0.5000  1.0
  Hf  Hf1  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  2  0.3171  0.4313  0.2077  1.0
  Br  Br3  2  0.1050  0.0956  0.2325  1.0
  Br  Br4  2  0.2589  0.5014  0.4784  1.0
  Br  Br5  2  0.2646  0.6805  0.9829  1.0
  Br  Br6  2  0.3135  0.1850  0.8403  1.0
]