data_[Ba1Hf1Ag2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [6.9519]
_cell_length_b [7.5181]
_cell_length_c [9.1722]
_cell_angle_alpha [69.5312]
_cell_angle_beta [88.9866]
_cell_angle_gamma [80.3438]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaHf(AgBr4)2]
_chemical_formula_sum '[Ba1 Hf1 Ag2 Br8]'
_cell_volume [442.3174]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1.0
  Hf  Hf1  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  2  0.4893  0.3342  0.6922  1.0
  Br  Br3  2  0.0949  0.2431  0.7279  1.0
  Br  Br4  2  0.1351  0.2016  0.1438  1.0
  Br  Br5  2  0.3421  0.7829  0.0245  1.0
  Br  Br6  2  0.4282  0.7342  0.5714  1.0
]