data_[K2H16Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.3166]
_cell_length_b [16.5601]
_cell_length_c [3.2558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [K(H4Se)2]
_chemical_formula_sum '[K2 H16 Se4]'
_cell_volume [340.5698]
_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  0.0000  0.5000  0.5000  1
  H  H1  8  0.0601  0.8687  0.0000  1
  H  H2  4  0.0000  0.0000  0.3847  1
  H  H3  4  0.0000  0.2945  0.5000  1
  Se  Se4  4  0.0000  0.3312  0.0000  1
]