data_[K8Tl4Cu4Br16]
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 [Cmcm]
_cell_length_a [4.4162]
_cell_length_b [15.2299]
_cell_length_c [16.4964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [K2TlCuBr4]
_chemical_formula_sum '[K8 Tl4 Cu4 Br16]'
_cell_volume [1109.5235]
_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  8  0.0000  0.3656  0.5559  1.0
  Tl  Tl1  4  0.0000  0.1137  0.7500  1.0
  Cu  Cu2  4  0.0000  0.1700  0.2500  1.0
  Br  Br3  8  0.0000  0.2757  0.1330  1.0
  Br  Br4  4  0.0000  0.0000  0.0000  1.0
  Br  Br5  4  0.0000  0.4137  0.7500  1.0
]