data_[K6Mg9Nb3F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Nb  1.6000  1.4500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3523]
_cell_length_b [7.3523]
_cell_length_c [18.6672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2Mg3NbF12]
_chemical_formula_sum '[K6 Mg9 Nb3 F36]'
_cell_volume [873.8854]
_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  6  0.0000  0.0000  0.4095  1.0
  Mg  Mg1  9  0.0000  0.5000  0.5000  1.0
  Nb  Nb2  3  0.0000  0.0000  0.0000  1.0
  F  F3  18  0.0626  0.5313  0.6111  1.0
  F  F4  18  0.0708  0.5354  0.8497  1.0
]