data_[K6Tl3As3Cl18]
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
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.6203]
_cell_length_b [7.6203]
_cell_length_c [19.5818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2TlAsCl6]
_chemical_formula_sum '[K6 Tl3 As3 Cl18]'
_cell_volume [984.7674]
_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  0.0255  1.0
  K  K1  3  0.0000  0.0000  0.5346  1.0
  Tl  Tl2  3  0.0000  0.0000  0.8147  1.0
  As  As3  3  0.0000  0.0000  0.3235  1.0
  Cl  Cl4  9  0.0365  0.7538  0.4022  1.0
  Cl  Cl5  9  0.0853  0.3697  0.9190  1.0
]