data_[K1Li1Tl1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.5441]
_cell_length_b [6.9000]
_cell_length_c [7.0619]
_cell_angle_alpha [85.4400]
_cell_angle_beta [85.7225]
_cell_angle_gamma [63.4099]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KLiTlCl6]
_chemical_formula_sum '[K1 Li1 Tl1 Cl6]'
_cell_volume [283.9754]
_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  0.9572  0.0263  0.0036  1.0
  Li  Li1  1  0.6711  0.6673  0.4853  1.0
  Tl  Tl2  1  0.3012  0.2913  0.4482  1.0
  Cl  Cl3  1  0.0297  0.3935  0.7270  1.0
  Cl  Cl4  1  0.3683  0.9685  0.2675  1.0
  Cl  Cl5  1  0.4162  0.7194  0.7751  1.0
  Cl  Cl6  1  0.6228  0.9714  0.7019  1.0
  Cl  Cl7  1  0.6382  0.3581  0.3415  1.0
  Cl  Cl8  1  0.9951  0.6041  0.2498  1.0
]