data_[Na6Tl3Co3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Co  1.8800  1.3500  0.7683
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.3344]
_cell_length_b [7.3344]
_cell_length_c [19.6247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2TlCoBr6]
_chemical_formula_sum '[Na6 Tl3 Co3 Br18]'
_cell_volume [914.2335]
_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
[
  Na  Na0  3  0.0000  0.0000  0.0055  1.0
  Na  Na1  3  0.0000  0.0000  0.5276  1.0
  Tl  Tl2  3  0.0000  0.0000  0.8137  1.0
  Co  Co3  3  0.0000  0.0000  0.3294  1.0
  Br  Br4  9  0.0637  0.3848  0.9246  1.0
  Br  Br5  9  0.0706  0.6757  0.0704  1.0
]