data_[K9Na9Co3Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Co  1.8800  1.3500  0.7683
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7041]
_cell_length_b [8.7041]
_cell_length_c [22.5176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K3Na3CoBr8]
_chemical_formula_sum '[K9 Na9 Co3 Br24]'
_cell_volume [1477.4216]
_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  0.5000  1.0
  Na  Na1  9  0.0000  0.5000  0.0000  1.0
  Co  Co2  3  0.0000  0.0000  0.0000  1.0
  Br  Br3  18  0.0396  0.5198  0.7324  1.0
  Br  Br4  6  0.0000  0.0000  0.2594  1.0
]