data_[K2Tl8Pb6]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.1862]
_cell_length_b [7.8184]
_cell_length_c [8.1556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [KTl4Pb3]
_chemical_formula_sum '[K2 Tl8 Pb6]'
_cell_volume [521.9776]
_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  0.0000  0.4921  0.2094  1
  Tl  Tl1  4  0.2366  0.7693  0.9591  1
  Tl  Tl2  2  0.0000  0.5144  0.6774  1
  Tl  Tl3  2  0.0000  0.9485  0.6563  1
  Pb  Pb4  4  0.2099  0.2155  0.9062  1
  Pb  Pb5  2  0.0000  0.0086  0.2109  1
]