data_[K2Ca2Si2H2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  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 [5.6081]
_cell_length_b [7.5392]
_cell_length_c [5.6563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [KCaSiHO4]
_chemical_formula_sum '[K2 Ca2 Si2 H2 O8]'
_cell_volume [209.9731]
_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  0.3542  0.2332  0.7208  1.0
  Ca  Ca1  2  0.0048  0.9849  0.9930  1.0
  Si  Si2  2  0.3189  0.7454  0.6246  1.0
  H  H3  2  0.0401  0.5025  0.5351  1.0
  O  O4  2  0.1876  0.7402  0.2944  1.0
  O  O5  2  0.1911  0.9104  0.7180  1.0
  O  O6  2  0.1916  0.5623  0.7064  1.0
  O  O7  2  0.3490  0.2380  0.2159  1.0
]