data_[K12Zr2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [12.5819]
_cell_length_b [12.5819]
_cell_length_c [6.2953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [K6ZrO4]
_chemical_formula_sum '[K12 Zr2 O8]'
_cell_volume [863.0576]
_cell_formula_units_Z [2]
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  0.1427  0.5713  0.9237  1
  K  K1  6  0.1450  0.2901  0.3480  1
  Zr  Zr2  2  0.3333  0.6667  0.3572  1
  O  O3  6  0.2504  0.5009  0.2198  1
  O  O4  2  0.3333  0.6667  0.6759  1
]