data_[K1U1Tl2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  U  1.3800  1.7500  0.9913
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0427]
_cell_length_b [9.3372]
_cell_length_c [7.2816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5156]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KU(TlCl4)2]
_chemical_formula_sum '[K1 U1 Tl2 Cl8]'
_cell_volume [478.3757]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1
  U  U1  1  0.0000  0.0000  0.0000  1
  Tl  Tl2  2  0.5000  0.2691  0.5000  1
  Cl  Cl3  4  0.1253  0.1951  0.7918  1
  Cl  Cl4  2  0.3103  0.0000  0.1855  1
  Cl  Cl5  2  0.3349  0.5000  0.2806  1
]