data_[K2Nb1Tl1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nb  1.6000  1.4500  0.8200
  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 [6.6002]
_cell_length_b [9.3589]
_cell_length_c [7.1968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2131]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2NbTlCl8]
_chemical_formula_sum '[K2 Nb1 Tl1 Cl8]'
_cell_volume [444.5475]
_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  2  0.5000  0.2637  0.5000  1.0
  Nb  Nb1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  1  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  4  0.2036  0.1814  0.8617  1.0
  Cl  Cl4  2  0.2185  0.0000  0.2672  1.0
  Cl  Cl5  2  0.2927  0.5000  0.3054  1.0
]