data_[K4Tl8Cu4Cl16]
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 [Imma]
_cell_length_a [9.3884]
_cell_length_b [9.4201]
_cell_length_c [11.9115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [KTl2CuCl4]
_chemical_formula_sum '[K4 Tl8 Cu4 Cl16]'
_cell_volume [1053.4474]
_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  0.0000  0.5000  1.0
  Tl  Tl1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.2500  0.2500  0.2500  1.0
  Cu  Cu3  4  0.2500  0.2500  0.7500  1.0
  Cl  Cl4  8  0.0000  0.0339  0.2530  1.0
  Cl  Cl5  8  0.2458  0.2500  0.5683  1.0
]