data_[K9Mg3Tl9Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.9059]
_cell_length_b [8.9059]
_cell_length_c [22.1957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K3MgTl3Cl8]
_chemical_formula_sum '[K9 Mg3 Tl9 Cl24]'
_cell_volume [1524.6101]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.0000  1
  Mg  Mg1  3  -0.0000  -0.0000  0.0000  1
  Tl  Tl2  9  0.0000  0.5000  0.5000  1
  Cl  Cl3  18  0.0590  0.5295  0.7332  1
  Cl  Cl4  6  0.0000  0.0000  0.2537  1
]