data_[Cs8Tl4Cu4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5696]
_cell_length_b [21.0917]
_cell_length_c [15.4560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2TlCuBr5]
_chemical_formula_sum '[Cs8 Tl4 Cu4 Br20]'
_cell_volume [1489.6472]
_cell_formula_units_Z [4]
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  0.0000  0.1236  0.6975  1
  Cs  Cs1  4  0.0000  0.1293  0.3422  1
  Tl  Tl2  4  0.0000  0.2012  0.0410  1
  Cu  Cu3  4  0.0000  0.4358  0.4047  1
  Br  Br4  4  0.0000  0.0463  0.9721  1
  Br  Br5  4  0.0000  0.2980  0.6823  1
  Br  Br6  4  0.0000  0.3212  0.3854  1
  Br  Br7  4  0.0000  0.3452  0.0210  1
  Br  Br8  4  0.0000  0.4987  0.7779  1
]