data_[K2Tl4Cu2Br16]
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 [C2/m]
_cell_length_a [15.0543]
_cell_length_b [7.5061]
_cell_length_c [9.2362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2493]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KTl2CuBr8]
_chemical_formula_sum '[K2 Tl4 Cu2 Br16]'
_cell_volume [943.9706]
_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
[
  K  K0  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl1  4  0.1908  0.5000  0.1538  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.0883  0.2316  0.2144  1.0
  Br  Br4  4  0.1239  0.0000  0.6346  1.0
  Br  Br5  4  0.1911  0.5000  0.8688  1.0
]