data_[K8Ti4Sn4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ti  1.5400  1.4000  0.8517
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2956]
_cell_length_b [13.1075]
_cell_length_c [13.0444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2TiSnO5]
_chemical_formula_sum '[K8 Ti4 Sn4 O20]'
_cell_volume [563.4731]
_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  0.0776  0.6801  1.0
  K  K1  4  0.0000  0.1659  0.2872  1.0
  Ti  Ti2  4  0.0000  0.4874  0.4492  1.0
  Sn  Sn3  4  0.0000  0.2225  0.0225  1.0
  O  O4  4  0.0000  0.0538  0.0162  1.0
  O  O5  4  0.0000  0.2742  0.6276  1.0
  O  O6  4  0.0000  0.3117  0.4248  1.0
  O  O7  4  0.0000  0.3797  0.9995  1.0
  O  O8  4  0.0000  0.4935  0.8169  1.0
]