data_[K8Zr4Ti4O20]
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
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3539]
_cell_length_b [12.9031]
_cell_length_c [13.1845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2ZrTiO5]
_chemical_formula_sum '[K8 Zr4 Ti4 O20]'
_cell_volume [570.5732]
_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  4  0.0000  0.0725  0.6764  1.0
  K  K1  4  0.0000  0.1689  0.2954  1.0
  Zr  Zr2  4  0.0000  0.2237  0.0279  1.0
  Ti  Ti3  4  0.0000  0.4803  0.4442  1.0
  O  O4  4  0.0000  0.0490  0.0123  1.0
  O  O5  4  0.0000  0.2749  0.6300  1.0
  O  O6  4  0.0000  0.3172  0.4298  1.0
  O  O7  4  0.0000  0.3766  0.9939  1.0
  O  O8  4  0.0000  0.4944  0.8142  1.0
]