data_[Cs4Ta2I8Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ta  1.5000  1.4500  0.8200
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8852]
_cell_length_b [8.2795]
_cell_length_c [6.9957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3006]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Ta(I2Br)2]
_chemical_formula_sum '[Cs4 Ta2 I8 Br4]'
_cell_volume [797.7220]
_cell_formula_units_Z [2]
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  4  0.1536  0.5000  0.2793  1
  Ta  Ta1  2  0.0000  0.0000  0.5000  1
  I  I2  8  0.0960  0.2420  0.7406  1
  Br  Br3  4  0.1391  0.0000  0.2964  1
]