data_[Cs1Hf1Tl2Br8]
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
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1085]
_cell_length_b [7.5763]
_cell_length_c [9.8924]
_cell_angle_alpha [89.4799]
_cell_angle_beta [72.2182]
_cell_angle_gamma [89.1377]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsHf(TlBr4)2]
_chemical_formula_sum '[Cs1 Hf1 Tl2 Br8]'
_cell_volume [435.8966]
_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  0.0000  0.0000  0.5000  1
  Hf  Hf1  1  0.0000  0.0000  0.0000  1
  Tl  Tl2  2  0.3197  0.4865  0.8127  1
  Br  Br3  2  0.1711  0.2417  0.1253  1
  Br  Br4  2  0.1878  0.7489  0.1137  1
  Br  Br5  2  0.2469  0.4997  0.4978  1
  Br  Br6  2  0.3551  0.0118  0.7687  1
]