data_[K8Tl4Cu4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [4.3273]
_cell_length_b [20.3480]
_cell_length_c [13.9670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2TlCuBr5]
_chemical_formula_sum '[K8 Tl4 Cu4 Br20]'
_cell_volume [1229.8306]
_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
[
  K  K0  4  0.0000  0.1150  0.6883  1.0
  K  K1  4  0.0000  0.1236  0.3392  1.0
  Tl  Tl2  4  0.0000  0.2011  0.0424  1.0
  Cu  Cu3  4  0.0000  0.4523  0.4099  1.0
  Br  Br4  4  0.0000  0.0297  0.9938  1.0
  Br  Br5  4  0.0000  0.2872  0.7037  1.0
  Br  Br6  4  0.0000  0.3353  0.3729  1.0
  Br  Br7  4  0.0000  0.3499  0.0154  1.0
  Br  Br8  4  0.0000  0.4915  0.7584  1.0
]