data_[K2Sr1Th1O4]
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
  Th  1.3000  1.8000  1.0800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.4227]
_cell_length_b [3.7242]
_cell_length_c [6.6523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7774]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2SrThO4]
_chemical_formula_sum '[K2 Sr1 Th1 O4]'
_cell_volume [150.6498]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1
  K  K1  1  0.5000  0.0000  0.5000  1
  Sr  Sr2  1  0.0000  0.0000  0.0000  1
  Th  Th3  1  0.5000  0.5000  0.0000  1
  O  O4  2  0.2608  0.5000  0.1903  1
  O  O5  2  0.2900  0.0000  0.8075  1
]