data_[K3Ba6Ni6F27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.8397]
_cell_length_b [5.8397]
_cell_length_c [21.0452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [KBa2Ni2F9]
_chemical_formula_sum '[K3 Ba6 Ni6 F27]'
_cell_volume [621.5358]
_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  0.2115  1
  Ba  Ba1  3  0.0000  0.0000  0.7931  1
  Ba  Ba2  3  0.0000  0.0000  0.9986  1
  Ni  Ni3  3  0.0000  0.0000  0.3910  1
  Ni  Ni4  3  0.0000  0.0000  0.6058  1
  F  F5  9  0.0048  0.5024  0.7713  1
  F  F6  9  0.1699  0.3398  0.3346  1
  F  F7  9  0.1708  0.3415  0.5608  1
]