data_[K2Ba2Si2H2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.8828]
_cell_length_b [8.1317]
_cell_length_c [6.0444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.3240]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [KBaSiHO4]
_chemical_formula_sum '[K2 Ba2 Si2 H2 O8]'
_cell_volume [254.5308]
_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  2  0.3698  0.7691  0.7033  1.0
  Ba  Ba1  2  0.0139  0.5170  0.0066  1.0
  Si  Si2  2  0.2989  0.2545  0.6213  1.0
  H  H3  2  0.4865  0.4902  0.5386  1.0
  O  O4  2  0.0936  0.2635  0.3198  1.0
  O  O5  2  0.1626  0.2611  0.8018  1.0
  O  O6  2  0.4875  0.4298  0.6875  1.0
  O  O7  2  0.4982  0.0978  0.6830  1.0
]