data_[K12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [8.4381]
_cell_length_b [8.4381]
_cell_length_c [14.6562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [K]
_chemical_formula_sum '[K12]'
_cell_volume [903.7400]
_cell_formula_units_Z [12]
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  0.1712  0.3423  0.2500  1.0
  K  K1  4  0.3333  0.6667  0.9364  1.0
  K  K2  2  0.0000  0.0000  0.0000  1.0
]