data_[K2Tl2Cu4S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2646]
_cell_length_b [5.0671]
_cell_length_c [9.5741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTl(CuS)2]
_chemical_formula_sum '[K2 Tl2 Cu4 S4]'
_cell_volume [332.2979]
_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  0.2967  0.7500  0.5664  1
  Tl  Tl1  2  0.2865  0.7500  0.0623  1
  Cu  Cu2  4  0.0079  0.5003  0.7630  1
  S  S3  2  0.2472  0.2500  0.2879  1
  S  S4  2  0.2563  0.2500  0.7835  1
]