data_[K4Sr2Ti2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.3217]
_cell_length_b [7.2588]
_cell_length_c [6.0697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [K2SrTiO4]
_chemical_formula_sum '[K4 Sr2 Ti2 O8]'
_cell_volume [322.5863]
_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  4  0.2412  0.6581  0.9833  1.0
  Sr  Sr1  2  0.0000  0.8756  0.4942  1.0
  Ti  Ti2  2  0.0000  0.1698  0.0025  1.0
  O  O3  4  0.2129  0.2917  0.9215  1.0
  O  O4  2  0.0000  0.1574  0.3030  1.0
  O  O5  2  0.0000  0.9329  0.8907  1.0
]