data_[K8Zr4O12]
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 [Cmc2_1]
_cell_length_a [10.6482]
_cell_length_b [7.0716]
_cell_length_c [5.9408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2ZrO3]
_chemical_formula_sum '[K8 Zr4 O12]'
_cell_volume [447.3407]
_cell_formula_units_Z [4]
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  8  0.1636  0.3630  0.7282  1.0
  Zr  Zr1  4  0.0000  0.0918  0.2669  1.0
  O  O2  8  0.1278  0.0225  0.0025  1.0
  O  O3  4  0.0000  0.3601  0.3316  1.0
]