data_[Hf1Tl1Ag2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Tl  1.6200  1.9000  1.3325
  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 [6.9833]
_cell_length_b [7.4356]
_cell_length_c [8.8784]
_cell_angle_alpha [70.7771]
_cell_angle_beta [88.1046]
_cell_angle_gamma [78.1764]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HfTl(AgBr4)2]
_chemical_formula_sum '[Hf1 Tl1 Ag2 Br8]'
_cell_volume [425.7764]
_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
[
  Hf  Hf0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  2  0.4889  0.3207  0.6953  1.0
  Br  Br3  2  0.1058  0.2347  0.7269  1.0
  Br  Br4  2  0.1398  0.1914  0.1546  1.0
  Br  Br5  2  0.3415  0.7597  0.0229  1.0
  Br  Br6  2  0.3882  0.7226  0.5757  1.0
]