data_[K12Mg6Tl36Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8368]
_cell_length_b [7.8368]
_cell_length_c [41.8786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2MgTl6Pb]
_chemical_formula_sum '[K12 Mg6 Tl36 Pb6]'
_cell_volume [2227.3971]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1028  1.0
  K  K1  6  0.0000  0.0000  0.2781  1.0
  Mg  Mg2  3  -0.0000  -0.0000  0.5000  1.0
  Mg  Mg3  3  0.0000  0.0000  0.0000  1.0
  Tl  Tl4  18  0.0562  0.5281  0.3063  1.0
  Tl  Tl5  18  0.0585  0.5293  0.8632  1.0
  Pb  Pb6  6  0.0000  0.0000  0.4245  1.0
]