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 [4.5811]
_cell_length_b [21.2326]
_cell_length_c [15.5504]
_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 [1512.5569]
_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  0.1238  0.6974  1.0
  Cs  Cs1  4  0.0000  0.1295  0.3423  1.0
  Tl  Tl2  4  0.0000  0.2013  0.0412  1.0
  Cu  Cu3  4  0.0000  0.4360  0.4041  1.0
  Br  Br4  4  0.0000  0.0463  0.9717  1.0
  Br  Br5  4  0.0000  0.2978  0.6824  1.0
  Br  Br6  4  0.0000  0.3213  0.3854  1.0
  Br  Br7  4  0.0000  0.3451  0.0211  1.0
  Br  Br8  4  0.0000  0.4989  0.7785  1.0
]