data_[K6Tl8Cu2Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7189]
_cell_length_b [8.7530]
_cell_length_c [8.9472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8415]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Tl4CuCl8]
_chemical_formula_sum '[K6 Tl8 Cu2 Cl16]'
_cell_volume [1022.4620]
_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  4  0.2500  0.2500  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  4  0.2500  0.2500  0.0000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl4  2  0.0000  0.5000  0.0000  1.0
  Cu  Cu5  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl6  8  0.0019  0.2029  0.3020  1.0
  Cl  Cl7  4  0.2309  0.5000  0.2384  1.0
  Cl  Cl8  4  0.2462  0.5000  0.7398  1.0
]