data_[K6Mg9Ni3F36]
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
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.1573]
_cell_length_b [7.1573]
_cell_length_c [18.1226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2Mg3NiF12]
_chemical_formula_sum '[K6 Mg9 Ni3 F36]'
_cell_volume [803.9926]
_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  0.3957  1.0
  Mg  Mg1  9  0.0000  0.5000  0.5000  1.0
  Ni  Ni2  3  0.0000  0.0000  0.0000  1.0
  F  F3  18  0.0668  0.5334  0.8627  1.0
  F  F4  18  0.0917  0.5458  0.6113  1.0
]