data_[K6Mn3Tl3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.4423]
_cell_length_b [8.4423]
_cell_length_c [21.0673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2MnTlI6]
_chemical_formula_sum '[K6 Mn3 Tl3 I18]'
_cell_volume [1300.3537]
_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  3  0.0000  0.0000  0.0318  1.0
  K  K1  3  0.0000  0.0000  0.5393  1.0
  Mn  Mn2  3  0.0000  0.0000  0.3230  1.0
  Tl  Tl3  3  0.0000  0.0000  0.8193  1.0
  I  I4  9  0.0368  0.6074  0.0687  1.0
  I  I5  9  0.0960  0.3640  0.9141  1.0
]